1-(2,2-dimethylpropanoyl)azepan-2-one

C11H19NO2 — CID 15883416

IUPAC1-(2,2-dimethylpropanoyl)azepan-2-one
SMILESCC(C)(C)C(=O)N1CCCCCC1=O
InChIInChI=1S/C11H19NO2/c1-11(2,3)10(14)12-8-6-4-5-7-9(12)13/h4-8H2,1-3H3
InChIKeyZSDKTGNWEFAMGT-UHFFFAOYSA-N
MW197.28 g/mol
LogP1.96
Rot. Bonds

About 1-(2,2-dimethylpropanoyl)azepan-2-one

1-(2,2-dimethylpropanoyl)azepan-2-one (PubChem CID 15883416) has the molecular formula C11H19NO2 and a molecular weight of 197.28 g/mol. Its IUPAC name is 1-(2,2-dimethylpropanoyl)azepan-2-one.

Molecular Properties

Compound Name1-(2,2-dimethylpropanoyl)azepan-2-one
PubChem CID15883416
Molecular FormulaC11H19NO2
Molecular Weight197.28 g/mol
Exact Mass197.14
IUPAC Name1-(2,2-dimethylpropanoyl)azepan-2-one
SMILESCC(C)(C)C(=O)N1CCCCCC1=O
InChIInChI=1S/C11H19NO2/c1-11(2,3)10(14)12-8-6-4-5-7-9(12)13/h4-8H2,1-3H3
InChIKeyZSDKTGNWEFAMGT-UHFFFAOYSA-N
XLogP1.96
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.28
LogP ≤ 51.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

N-Methylcaprolactam
CID 17369
N-Acetylcaprolactam
CID 15904
1-Ethylazepan-2-one
CID 29779
1-Octylazepin-2-one
CID 2754067
Tert-butyl 2-oxoazepane-1-carboxylate
CID 11424412
1-(Azepan-1-yl)hexan-1-one
CID 246832
2H-Azepin-2-one, hexahydro-N-lauroyl-
CID 21713
1-Hexylazepan-2-one
CID 181537
1-(Azepan-1-yl)butan-1-one
CID 303113
2H-Azepin-2-one, hexahydro-1,3-dimethyl-
CID 10920612
2-Oxoazepane-1-carbaldehyde
CID 12939450
Methyl 2-oxoazepane-1-carboxylate
CID 14940596

Frequently Asked Questions

What is the IUPAC name of 1-(2,2-dimethylpropanoyl)azepan-2-one?
The IUPAC name of 1-(2,2-dimethylpropanoyl)azepan-2-one (CID 15883416) is 1-(2,2-dimethylpropanoyl)azepan-2-one.
What is the SMILES notation for 1-(2,2-dimethylpropanoyl)azepan-2-one?
The canonical SMILES for 1-(2,2-dimethylpropanoyl)azepan-2-one is CC(C)(C)C(=O)N1CCCCCC1=O.
What is the InChIKey of 1-(2,2-dimethylpropanoyl)azepan-2-one?
The InChIKey is ZSDKTGNWEFAMGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19NO2/c1-11(2,3)10(14)12-8-6-4-5-7-9(12)13/h4-8H2,1-3H3.
What are the key properties of 1-(2,2-dimethylpropanoyl)azepan-2-one?
1-(2,2-dimethylpropanoyl)azepan-2-one has a molecular weight of 197.28 g/mol, XLogP of 1.96, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,2-dimethylpropanoyl)azepan-2-one is sourced from PubChem (CID 15883416), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).