1-(2-methylpropanoyl)azepan-2-one

C10H17NO2 — CID 86179400

IUPAC1-(2-methylpropanoyl)azepan-2-one
SMILESCC(C)C(=O)N1CCCCCC1=O
InChIInChI=1S/C10H17NO2/c1-8(2)10(13)11-7-5-3-4-6-9(11)12/h8H,3-7H2,1-2H3
InChIKeyMADFWOKLLJNXFJ-UHFFFAOYSA-N
MW183.25 g/mol
LogP1.57
Rot. Bonds1

About 1-(2-methylpropanoyl)azepan-2-one

1-(2-methylpropanoyl)azepan-2-one (PubChem CID 86179400) has the molecular formula C10H17NO2 and a molecular weight of 183.25 g/mol. Its IUPAC name is 1-(2-methylpropanoyl)azepan-2-one.

Molecular Properties

Compound Name1-(2-methylpropanoyl)azepan-2-one
PubChem CID86179400
Molecular FormulaC10H17NO2
Molecular Weight183.25 g/mol
Exact Mass183.13
IUPAC Name1-(2-methylpropanoyl)azepan-2-one
SMILESCC(C)C(=O)N1CCCCCC1=O
InChIInChI=1S/C10H17NO2/c1-8(2)10(13)11-7-5-3-4-6-9(11)12/h8H,3-7H2,1-2H3
InChIKeyMADFWOKLLJNXFJ-UHFFFAOYSA-N
XLogP1.57
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.25
LogP ≤ 51.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-acetylazonan-2-one
CID 19035113
1-acetylazepan-2-one;methane
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1-(2-oxopiperidine-1-carbonyl)piperidin-2-one
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2-methyl-1-(2-sulfanylidenepyrrolidin-1-yl)propan-1-one
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2-(2-oxoazepan-1-yl)propanoic acid
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2-hydroxy-1-(2-oxopyrrolidin-1-yl)butane-1,3-dione
CID 10932126
1-[2-(3-hydroxyphenyl)propanoyl]piperidin-2-one
CID 23036974
1-(2-methylpropanoyl)-3,4-dihydro-2H-1-benzazepin-5-one
CID 114336498
(3S)-3-amino-4-oxo-4-(2-oxopyrrolidin-1-yl)butanoic acid
CID 90168526
1-[(E)-but-2-enoyl]piperidin-2-one
CID 101396423
1,8-bis(2-oxoazepan-1-yl)octane-1,8-dione
CID 19994069

Frequently Asked Questions

What is the IUPAC name of 1-(2-methylpropanoyl)azepan-2-one?
The IUPAC name of 1-(2-methylpropanoyl)azepan-2-one (CID 86179400) is 1-(2-methylpropanoyl)azepan-2-one.
What is the SMILES notation for 1-(2-methylpropanoyl)azepan-2-one?
The canonical SMILES for 1-(2-methylpropanoyl)azepan-2-one is CC(C)C(=O)N1CCCCCC1=O.
What is the InChIKey of 1-(2-methylpropanoyl)azepan-2-one?
The InChIKey is MADFWOKLLJNXFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17NO2/c1-8(2)10(13)11-7-5-3-4-6-9(11)12/h8H,3-7H2,1-2H3.
What are the key properties of 1-(2-methylpropanoyl)azepan-2-one?
1-(2-methylpropanoyl)azepan-2-one has a molecular weight of 183.25 g/mol, XLogP of 1.57, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methylpropanoyl)azepan-2-one is sourced from PubChem (CID 86179400), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).