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4053-34-3 molecular structure
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6-methyl-1,2-dihydroquinolin-2-one

ChemBase ID: 806424
Molecular Formular: C10H9NO
Molecular Mass: 159.18456
Monoisotopic Mass: 159.06841391
SMILES and InChIs

SMILES:
c1cc2c(cc1C)ccc(=O)[nH]2
Canonical SMILES:
Cc1ccc2c(c1)ccc(=O)[nH]2
InChI:
InChI=1S/C10H9NO/c1-7-2-4-9-8(6-7)3-5-10(12)11-9/h2-6H,1H3,(H,11,12)
InChIKey:
LOUXUHOSYWFSHV-UHFFFAOYSA-N

Cite this record

CBID:806424 http://www.chembase.cn/molecule-806424.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
6-methyl-1,2-dihydroquinolin-2-one
IUPAC Traditional name
6-methyl-1H-quinolin-2-one
Synonyms
6-METHYLQUINOLIN-2(1H)-ONE
CAS Number
4053-34-3

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
A&J Pharmtech AJA-O24065 external link Add to cart
Data Source Data ID Price
A&J Pharmtech
AJA-O24065 external link Add to cart Please log in.
Data Source Data ID

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
Acid pKa 14.301609  H Acceptors
H Donor LogD (pH = 5.5) 2.1105638 
LogD (pH = 7.4) 2.1105638  Log P 2.1105638 
Molar Refractivity 50.3204 cm3 Polarizability 17.916086 Å3
Polar Surface Area 29.1 Å2 Rotatable Bonds
Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Product Information Bioassay(PubChem)
Purity
98% expand Show data source

DETAILS

DETAILS

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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