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841-73-6 molecular structure
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1-methyl-5-(prop-2-en-1-yl)-5-(propan-2-yl)-1,3-diazinane-2,4,6-trione

ChemBase ID: 126270
Molecular Formular: C11H16N2O3
Molecular Mass: 224.25634
Monoisotopic Mass: 224.11609238
SMILES and InChIs

SMILES:
O=C1NC(=O)N(C)C(=O)C1(C(C)C)CC=C
Canonical SMILES:
C=CCC1(C(C)C)C(=O)NC(=O)N(C1=O)C
InChI:
InChI=1S/C11H16N2O3/c1-5-6-11(7(2)3)8(14)12-10(16)13(4)9(11)15/h5,7H,1,6H2,2-4H3,(H,12,14,16)
InChIKey:
AXJXURWWUFZZKN-UHFFFAOYSA-N

Cite this record

CBID:126270 http://www.chembase.cn/molecule-126270.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
1-methyl-5-(prop-2-en-1-yl)-5-(propan-2-yl)-1,3-diazinane-2,4,6-trione
IUPAC Traditional name
enallylpropymal
Synonyms
Enallylpropymal
Enallylpropymal
Bucolome
Paramidine
Bucolome
CAS Number
841-73-6
1861-21-8
PubChem SID
162220609
PubChem CID
2461
95636
CHEBI ID
31314
Chemspider ID
2367
Unique Ingredient Identifier
9T08RAL174
Wikipedia Title
Enallylpropymal
Bucolome

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID Price

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
Acid pKa 8.7411585  H Acceptors
H Donor LogD (pH = 5.5) 1.3681244 
LogD (pH = 7.4) 1.3492361  Log P 1.3683707 
Molar Refractivity 58.3427 cm3 Polarizability 22.561075 Å3
Polar Surface Area 66.48 Å2 Rotatable Bonds
Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Bioassay(PubChem)

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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