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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Related Compounds

1-Ethyl-3,5,7-trimethyl-1,3-dihydro-2H-azepin-2-one
CID 282185
1,3,5,7-Tetramethyl-1,3-dihydro-2H-azepin-2-one
CID 282183
3-Tert-butylquinolizin-4-one
CID 134908898
3-Ethyl-1-(2-fluoroethyl)pyridin-2-one
CID 170635948
10-methyl-3,4,7,8-tetrahydro-2H-pyrido[1,2-a]azepin-6-one
CID 11298275
10-Methyl-2,3,7,8-tetrahydropyrido[1,2-a]azepin-4(6h)-one
CID 11446659
4H-Quinolizin-4-one, 2,3,6,7-tetrahydro-9-methyl-
CID 45088796
1-[(E)-hept-5-enyl]-6-prop-1-en-2-yl-3,4-dihydropyridin-2-one
CID 102245924
10-methyl-4,7,8,10a-tetrahydro-3H-pyrido[1,2-a]azepin-6-one
CID 135034558
2,3,6,7-Tetrahydroquinolizin-4-one
CID 135082927
1,5-dimethyl-3H-azepin-2-one
CID 11469112
4,6-Dimethyl-1-prop-2-enylpyridin-2-one
CID 86080282

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).