1-acetyl-7,8,9,10-tetrahydro-6H-pyrido[1,2-a]azepin-4-one

C12H15NO2 — CID 15421001

IUPAC1-acetyl-7,8,9,10-tetrahydro-6H-pyrido[1,2-a]azepin-4-one
SMILESCC(=O)c1ccc(=O)n2c1CCCCC2
InChIInChI=1S/C12H15NO2/c1-9(14)10-6-7-12(15)13-8-4-2-3-5-11(10)13/h6-7H,2-5,8H2,1H3
InChIKeyIVKGWMRNWRGYCP-UHFFFAOYSA-N
MW205.26 g/mol
LogP1.78
Rot. Bonds1

About 1-acetyl-7,8,9,10-tetrahydro-6H-pyrido[1,2-a]azepin-4-one

1-acetyl-7,8,9,10-tetrahydro-6H-pyrido[1,2-a]azepin-4-one (PubChem CID 15421001) has the molecular formula C12H15NO2 and a molecular weight of 205.26 g/mol. Its IUPAC name is 1-acetyl-7,8,9,10-tetrahydro-6H-pyrido[1,2-a]azepin-4-one.

Molecular Properties

Compound Name1-acetyl-7,8,9,10-tetrahydro-6H-pyrido[1,2-a]azepin-4-one
PubChem CID15421001
Molecular FormulaC12H15NO2
Molecular Weight205.26 g/mol
Exact Mass205.11
IUPAC Name1-acetyl-7,8,9,10-tetrahydro-6H-pyrido[1,2-a]azepin-4-one
SMILESCC(=O)c1ccc(=O)n2c1CCCCC2
InChIInChI=1S/C12H15NO2/c1-9(14)10-6-7-12(15)13-8-4-2-3-5-11(10)13/h6-7H,2-5,8H2,1H3
InChIKeyIVKGWMRNWRGYCP-UHFFFAOYSA-N
XLogP1.78
TPSA39.07 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.26
LogP ≤ 51.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-acetyl-7,8,9,10-tetrahydro-6H-pyrido[1,2-a]azepin-4-one?
The IUPAC name of 1-acetyl-7,8,9,10-tetrahydro-6H-pyrido[1,2-a]azepin-4-one (CID 15421001) is 1-acetyl-7,8,9,10-tetrahydro-6H-pyrido[1,2-a]azepin-4-one.
What is the SMILES notation for 1-acetyl-7,8,9,10-tetrahydro-6H-pyrido[1,2-a]azepin-4-one?
The canonical SMILES for 1-acetyl-7,8,9,10-tetrahydro-6H-pyrido[1,2-a]azepin-4-one is CC(=O)c1ccc(=O)n2c1CCCCC2.
What is the InChIKey of 1-acetyl-7,8,9,10-tetrahydro-6H-pyrido[1,2-a]azepin-4-one?
The InChIKey is IVKGWMRNWRGYCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15NO2/c1-9(14)10-6-7-12(15)13-8-4-2-3-5-11(10)13/h6-7H,2-5,8H2,1H3.
What are the key properties of 1-acetyl-7,8,9,10-tetrahydro-6H-pyrido[1,2-a]azepin-4-one?
1-acetyl-7,8,9,10-tetrahydro-6H-pyrido[1,2-a]azepin-4-one has a molecular weight of 205.26 g/mol, XLogP of 1.78, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-acetyl-7,8,9,10-tetrahydro-6H-pyrido[1,2-a]azepin-4-one is sourced from PubChem (CID 15421001), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).