1-acetylazepan-2-one

C8H13NO2 — CID 15904

IUPAC1-acetylazepan-2-one
SMILESCC(=O)N1CCCCCC1=O
InChIInChI=1S/C8H13NO2/c1-7(10)9-6-4-2-3-5-8(9)11/h2-6H2,1H3
InChIKeyQISSLHPKTCLLDL-UHFFFAOYSA-N
MW155.20 g/mol
LogP0.94
Rot. Bonds

About 1-acetylazepan-2-one

1-acetylazepan-2-one (PubChem CID 15904) has the molecular formula C8H13NO2 and a molecular weight of 155.20 g/mol. Its IUPAC name is 1-acetylazepan-2-one.

Molecular Properties

Compound Name1-acetylazepan-2-one
PubChem CID15904
Molecular FormulaC8H13NO2
Molecular Weight155.20 g/mol
Exact Mass155.09
IUPAC Name1-acetylazepan-2-one
SMILESCC(=O)N1CCCCCC1=O
InChIInChI=1S/C8H13NO2/c1-7(10)9-6-4-2-3-5-8(9)11/h2-6H2,1H3
InChIKeyQISSLHPKTCLLDL-UHFFFAOYSA-N
XLogP0.94
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500155.20
LogP ≤ 50.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-acetylazepan-2-one?
The IUPAC name of 1-acetylazepan-2-one (CID 15904) is 1-acetylazepan-2-one.
What is the SMILES notation for 1-acetylazepan-2-one?
The canonical SMILES for 1-acetylazepan-2-one is CC(=O)N1CCCCCC1=O.
What is the InChIKey of 1-acetylazepan-2-one?
The InChIKey is QISSLHPKTCLLDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13NO2/c1-7(10)9-6-4-2-3-5-8(9)11/h2-6H2,1H3.
What are the key properties of 1-acetylazepan-2-one?
1-acetylazepan-2-one has a molecular weight of 155.20 g/mol, XLogP of 0.94, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-acetylazepan-2-one is sourced from PubChem (CID 15904), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).