1-acetylazonan-2-one

C10H17NO2 — CID 19035113

IUPAC1-acetylazonan-2-one
SMILESCC(=O)N1CCCCCCCC1=O
InChIInChI=1S/C10H17NO2/c1-9(12)11-8-6-4-2-3-5-7-10(11)13/h2-8H2,1H3
InChIKeyAMPZDTILUPPALS-UHFFFAOYSA-N
MW183.25 g/mol
LogP1.72
Rot. Bonds

About 1-acetylazonan-2-one

1-acetylazonan-2-one (PubChem CID 19035113) has the molecular formula C10H17NO2 and a molecular weight of 183.25 g/mol. Its IUPAC name is 1-acetylazonan-2-one.

Molecular Properties

Compound Name1-acetylazonan-2-one
PubChem CID19035113
Molecular FormulaC10H17NO2
Molecular Weight183.25 g/mol
Exact Mass183.13
IUPAC Name1-acetylazonan-2-one
SMILESCC(=O)N1CCCCCCCC1=O
InChIInChI=1S/C10H17NO2/c1-9(12)11-8-6-4-2-3-5-7-10(11)13/h2-8H2,1H3
InChIKeyAMPZDTILUPPALS-UHFFFAOYSA-N
XLogP1.72
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.25
LogP ≤ 51.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-acetylazepan-2-one;methane
CID 158348937
1-(2-oxopiperidine-1-carbonyl)piperidin-2-one
CID 18425054
1-(2-methylpropanoyl)azepan-2-one
CID 86179400
1-[(E)-but-2-enoyl]piperidin-2-one
CID 101396423
2-oxo-N-propan-2-ylpiperidine-1-carboxamide
CID 173438091
1,8-bis(2-oxoazepan-1-yl)octane-1,8-dione
CID 19994069
3-methyl-2-(2-oxopyrrolidin-1-yl)but-2-enoic acid
CID 68816336
1-(2-methylbenzoyl)azepan-2-one
CID 175288999
2-oxopyrrolidine-1-carboxylic acid;zinc
CID 174972169
2-hydroxy-1-(2-oxopyrrolidin-1-yl)butane-1,3-dione
CID 10932126
N-methyl-2-oxopyrrolidine-1-carboxamide
CID 18176273
3-acetyl-1,3-oxazepan-2-one
CID 18702579

Frequently Asked Questions

What is the IUPAC name of 1-acetylazonan-2-one?
The IUPAC name of 1-acetylazonan-2-one (CID 19035113) is 1-acetylazonan-2-one.
What is the SMILES notation for 1-acetylazonan-2-one?
The canonical SMILES for 1-acetylazonan-2-one is CC(=O)N1CCCCCCCC1=O.
What is the InChIKey of 1-acetylazonan-2-one?
The InChIKey is AMPZDTILUPPALS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17NO2/c1-9(12)11-8-6-4-2-3-5-7-10(11)13/h2-8H2,1H3.
What are the key properties of 1-acetylazonan-2-one?
1-acetylazonan-2-one has a molecular weight of 183.25 g/mol, XLogP of 1.72, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-acetylazonan-2-one is sourced from PubChem (CID 19035113), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).