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5-(cyclohex-1-en-1-yl)-5-ethyl-1,3-diazinane-2,4,6-trione
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ChemBase ID:
130312
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Molecular Formular:
C12H16N2O3
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Molecular Mass:
236.26704
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Monoisotopic Mass:
236.11609238
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SMILES and InChIs
SMILES:
O=C1NC(=O)NC(=O)C1(C1=CCCCC1)CC
Canonical SMILES:
CCC1(C2=CCCCC2)C(=O)NC(=O)NC1=O
InChI:
InChI=1S/C12H16N2O3/c1-2-12(8-6-4-3-5-7-8)9(15)13-11(17)14-10(12)16/h6H,2-5,7H2,1H3,(H2,13,14,15,16,17)
InChIKey:
WTYGAUXICFETTC-UHFFFAOYSA-N
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Cite this record
CBID:130312 http://www.chembase.cn/molecule-130312.html
NAMES AND DATABASE IDS
NAMES AND DATABASE IDS
Names Database IDs
IUPAC name
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5-(cyclohex-1-en-1-yl)-5-ethyl-1,3-diazinane-2,4,6-trione
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IUPAC Traditional name
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Synonyms
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5-(1-Cyclohexen-1-yl)-5-ethyl-2,4,6(1H,3H,5H)-pyrimidinetrione
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5-(1-Cyclohexen-1-yl)-5-ethylbarbituric Acid
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5-Ethyl-5-(1-cyclohexenyl)barbituric Acid
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Adorm
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Amnosed
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Cavonyl
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Cyclobarbitone
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Cyclodorm
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Cyclohexal
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Ethylhexabital
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Fanodorm
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Fanodormo
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Hexadorm
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Hexemal
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Hypnoval
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Irifan
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Namuron
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Palinum
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Phanodorm
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Phanotal
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Philodorm
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Praelumin
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Pralumin
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Pro-Sonil
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Sonaform
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Sonoform
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Tetrahydrophenobarbital
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Cyclobarbital
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CAS Number
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PubChem SID
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PubChem CID
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ATC CODE
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CHEMBL
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Chemspider ID
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KEGG ID
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Unique Ingredient Identifier
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Wikipedia Title
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DATA SOURCES
DATA SOURCES
All Sources Commercial Sources Non-commercial Sources
Data Source
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Data ID
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Price
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TRC
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CALCULATED PROPERTIES
CALCULATED PROPERTIES
JChem
Acid pKa
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8.140079
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H Acceptors
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3
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H Donor
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2
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LogD (pH = 5.5)
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1.4675323
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LogD (pH = 7.4)
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1.3968176
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Log P
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1.4685146
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Molar Refractivity
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61.6517 cm3
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Polarizability
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23.677336 Å3
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Polar Surface Area
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75.27 Å2
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Rotatable Bonds
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2
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Lipinski's Rule of Five
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true
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DETAILS
DETAILS
Wikipedia
TRC
PATENTS
PATENTS
PubChem Patent
Google Patent