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51564-93-3 molecular structure
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6-amino-4-methyl-1,2-dihydropyridin-2-one

ChemBase ID: 250289
Molecular Formular: C6H8N2O
Molecular Mass: 124.14052
Monoisotopic Mass: 124.06366289
SMILES and InChIs

SMILES:
[nH]1c(cc(cc1=O)C)N
Canonical SMILES:
Cc1cc(N)[nH]c(=O)c1
InChI:
InChI=1S/C6H8N2O/c1-4-2-5(7)8-6(9)3-4/h2-3H,1H3,(H3,7,8,9)
InChIKey:
CHRLXRRNYHEJCL-UHFFFAOYSA-N

Cite this record

CBID:250289 http://www.chembase.cn/molecule-250289.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
6-amino-4-methyl-1,2-dihydropyridin-2-one
IUPAC Traditional name
6-amino-4-methyl-1H-pyridin-2-one
Synonyms
6-amino-4-methylpyridin-2(1H)-one
CAS Number
51564-93-3
MDL Number
MFCD07344329
PubChem SID
164306199
PubChem CID
7063840

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID Price
Enamine
EN300-14559 external link Add to cart Please log in.
Data Source Data ID
PubChem 7063840 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) -0.2800059  LogD (pH = 7.4) -0.24153659 
Log P -0.24097617  Molar Refractivity 45.2633 cm3
Polarizability 12.922327 Å3 Polar Surface Area 55.12 Å2
Rotatable Bonds Lipinski's Rule of Five true 
Acid pKa 11.342735 

PROPERTIES

PROPERTIES

Physical Property Product Information Bioassay(PubChem)
Melting Point
256 - 258°C expand Show data source
Hydrophobicity(logP)
-0.8 expand Show data source
Purity
95% expand Show data source

DETAILS

DETAILS

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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