8-methyl-7H-pyrido[1,2-a]azepin-6-one

C11H11NO — CID 15129811

IUPAC8-methyl-7H-pyrido[1,2-a]azepin-6-one
SMILESCC1=CC=C2C=CC=CN2C(=O)C1
InChIInChI=1S/C11H11NO/c1-9-5-6-10-4-2-3-7-12(10)11(13)8-9/h2-7H,8H2,1H3
InChIKeyLABGKCXUVZMPKH-UHFFFAOYSA-N
MW173.21 g/mol
LogP2.13
Rot. Bonds

About 8-methyl-7H-pyrido[1,2-a]azepin-6-one

8-methyl-7H-pyrido[1,2-a]azepin-6-one (PubChem CID 15129811) has the molecular formula C11H11NO and a molecular weight of 173.21 g/mol. Its IUPAC name is 8-methyl-7H-pyrido[1,2-a]azepin-6-one.

Molecular Properties

Compound Name8-methyl-7H-pyrido[1,2-a]azepin-6-one
PubChem CID15129811
Molecular FormulaC11H11NO
Molecular Weight173.21 g/mol
Exact Mass173.08
IUPAC Name8-methyl-7H-pyrido[1,2-a]azepin-6-one
SMILESCC1=CC=C2C=CC=CN2C(=O)C1
InChIInChI=1S/C11H11NO/c1-9-5-6-10-4-2-3-7-12(10)11(13)8-9/h2-7H,8H2,1H3
InChIKeyLABGKCXUVZMPKH-UHFFFAOYSA-N
XLogP2.13
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.21
LogP ≤ 52.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 8-methyl-7H-pyrido[1,2-a]azepin-6-one?
The IUPAC name of 8-methyl-7H-pyrido[1,2-a]azepin-6-one (CID 15129811) is 8-methyl-7H-pyrido[1,2-a]azepin-6-one.
What is the SMILES notation for 8-methyl-7H-pyrido[1,2-a]azepin-6-one?
The canonical SMILES for 8-methyl-7H-pyrido[1,2-a]azepin-6-one is CC1=CC=C2C=CC=CN2C(=O)C1.
What is the InChIKey of 8-methyl-7H-pyrido[1,2-a]azepin-6-one?
The InChIKey is LABGKCXUVZMPKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11NO/c1-9-5-6-10-4-2-3-7-12(10)11(13)8-9/h2-7H,8H2,1H3.
What are the key properties of 8-methyl-7H-pyrido[1,2-a]azepin-6-one?
8-methyl-7H-pyrido[1,2-a]azepin-6-one has a molecular weight of 173.21 g/mol, XLogP of 2.13, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 8-methyl-7H-pyrido[1,2-a]azepin-6-one is sourced from PubChem (CID 15129811), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).