3-methylcyclohepta[b]pyridin-5-one

C11H9NO — CID 123494826

IUPAC3-methylcyclohepta[b]pyridin-5-one
SMILESCc1cnc2ccccc(=O)c2c1
InChIInChI=1S/C11H9NO/c1-8-6-9-10(12-7-8)4-2-3-5-11(9)13/h2-7H,1H3
InChIKeyHWBNHMXNFRALMY-UHFFFAOYSA-N
MW171.20 g/mol
LogP1.90
Rot. Bonds

About 3-methylcyclohepta[b]pyridin-5-one

3-methylcyclohepta[b]pyridin-5-one (PubChem CID 123494826) has the molecular formula C11H9NO and a molecular weight of 171.20 g/mol. Its IUPAC name is 3-methylcyclohepta[b]pyridin-5-one.

Molecular Properties

Compound Name3-methylcyclohepta[b]pyridin-5-one
PubChem CID123494826
Molecular FormulaC11H9NO
Molecular Weight171.20 g/mol
Exact Mass171.07
IUPAC Name3-methylcyclohepta[b]pyridin-5-one
SMILESCc1cnc2ccccc(=O)c2c1
InChIInChI=1S/C11H9NO/c1-8-6-9-10(12-7-8)4-2-3-5-11(9)13/h2-7H,1H3
InChIKeyHWBNHMXNFRALMY-UHFFFAOYSA-N
XLogP1.90
TPSA29.96 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.20
LogP ≤ 51.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

ethane;5-fluoro-3-methylquinoline
CID 156751037
3-methylquinoline-5-carbonitrile
CID 23510421
cyclohepta[d]pyrimidin-5-one
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9-methylphenanthridine
CID 10987123
6-chloro-3-methylquinolin-5-amine
CID 66881077
3-amino-1-benzazepin-5-one
CID 67614263
2-methylbenzo[j]phenanthridine-7,12-dione
CID 57328334
2-methylchromeno[3,2-c]quinolin-7-one
CID 139223040
2-methylphenanthridine
CID 14384826
2,9-dimethyl-1,7-phenanthroline
CID 66758842
3-methylquinoline;pentane
CID 145470784
3,5,7-trimethylquinoline
CID 82111328

Frequently Asked Questions

What is the IUPAC name of 3-methylcyclohepta[b]pyridin-5-one?
The IUPAC name of 3-methylcyclohepta[b]pyridin-5-one (CID 123494826) is 3-methylcyclohepta[b]pyridin-5-one.
What is the SMILES notation for 3-methylcyclohepta[b]pyridin-5-one?
The canonical SMILES for 3-methylcyclohepta[b]pyridin-5-one is Cc1cnc2ccccc(=O)c2c1.
What is the InChIKey of 3-methylcyclohepta[b]pyridin-5-one?
The InChIKey is HWBNHMXNFRALMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9NO/c1-8-6-9-10(12-7-8)4-2-3-5-11(9)13/h2-7H,1H3.
What are the key properties of 3-methylcyclohepta[b]pyridin-5-one?
3-methylcyclohepta[b]pyridin-5-one has a molecular weight of 171.20 g/mol, XLogP of 1.90, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methylcyclohepta[b]pyridin-5-one is sourced from PubChem (CID 123494826), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).