4-methylazepin-2-one

C7H7NO — CID 91345793

IUPAC4-methylazepin-2-one
SMILESCc1cccnc(=O)c1
InChIInChI=1S/C7H7NO/c1-6-3-2-4-8-7(9)5-6/h2-5H,1H3
InChIKeyRZDZHHFXXDJQGM-UHFFFAOYSA-N
MW121.14 g/mol
LogP0.75
Rot. Bonds

About 4-methylazepin-2-one

4-methylazepin-2-one (PubChem CID 91345793) has the molecular formula C7H7NO and a molecular weight of 121.14 g/mol. Its IUPAC name is 4-methylazepin-2-one.

Molecular Properties

Compound Name4-methylazepin-2-one
PubChem CID91345793
Molecular FormulaC7H7NO
Molecular Weight121.14 g/mol
Exact Mass121.05
IUPAC Name4-methylazepin-2-one
SMILESCc1cccnc(=O)c1
InChIInChI=1S/C7H7NO/c1-6-3-2-4-8-7(9)5-6/h2-5H,1H3
InChIKeyRZDZHHFXXDJQGM-UHFFFAOYSA-N
XLogP0.75
TPSA29.96 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500121.14
LogP ≤ 50.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

3-Benzazepin-2-one
CID 19092219
Carbonyl pyridone
CID 77520314
3-Carbonyl-pyridine
CID 87556379
3-Methylazepin-2-one
CID 90904257
2H-3-benzazepine-2-on-hydrochloride
CID 129717137
Cyclohepta[c]pyridin-1-one
CID 132279945
2-Oxo-4-vinylpyrrole
CID 172433115
3-Methylidenepyridin-2-one
CID 18522756
3-Ethylazepin-2-one
CID 23218762
3-Methyl-5-methylidenepyridin-2-one
CID 57823656
3-Ethenylpyrrol-2-one
CID 67761985
4-Ethylpyrrol-2-one
CID 70183276

Frequently Asked Questions

What is the IUPAC name of 4-methylazepin-2-one?
The IUPAC name of 4-methylazepin-2-one (CID 91345793) is 4-methylazepin-2-one.
What is the SMILES notation for 4-methylazepin-2-one?
The canonical SMILES for 4-methylazepin-2-one is Cc1cccnc(=O)c1.
What is the InChIKey of 4-methylazepin-2-one?
The InChIKey is RZDZHHFXXDJQGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7NO/c1-6-3-2-4-8-7(9)5-6/h2-5H,1H3.
What are the key properties of 4-methylazepin-2-one?
4-methylazepin-2-one has a molecular weight of 121.14 g/mol, XLogP of 0.75, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methylazepin-2-one is sourced from PubChem (CID 91345793), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).