7-benzoylazepan-2-one

C26H30N2O4 — CID 70255305

IUPAC7-benzoylazepan-2-one
SMILESO=C1CCCCC(C(=O)c2ccccc2)N1.O=C1CCCCC(C(=O)c2ccccc2)N1
InChIInChI=1S/2C13H15NO2/c2*15-12-9-5-4-8-11(14-12)13(16)10-6-2-1-3-7-10/h2*1-3,6-7,11H,4-5,8-9H2,(H,14,15)
InChIKeyJAPWKFBYDPHYNV-UHFFFAOYSA-N
MW434.54 g/mol
LogP3.86
Rot. Bonds4

About 7-benzoylazepan-2-one

7-benzoylazepan-2-one (PubChem CID 70255305) has the molecular formula C26H30N2O4 and a molecular weight of 434.54 g/mol. Its IUPAC name is 7-benzoylazepan-2-one.

Molecular Properties

Compound Name7-benzoylazepan-2-one
PubChem CID70255305
Molecular FormulaC26H30N2O4
Molecular Weight434.54 g/mol
Exact Mass434.22
IUPAC Name7-benzoylazepan-2-one
SMILESO=C1CCCCC(C(=O)c2ccccc2)N1.O=C1CCCCC(C(=O)c2ccccc2)N1
InChIInChI=1S/2C13H15NO2/c2*15-12-9-5-4-8-11(14-12)13(16)10-6-2-1-3-7-10/h2*1-3,6-7,11H,4-5,8-9H2,(H,14,15)
InChIKeyJAPWKFBYDPHYNV-UHFFFAOYSA-N
XLogP3.86
TPSA92.34 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.54
LogP ≤ 53.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

phenyl(piperidin-2-yl)methanone
CID 19772085
7-(3-chlorobenzoyl)azepan-2-one;7-(4-nitrobenzoyl)azepan-2-one
CID 23290784
2-benzoylcyclotridecan-1-one
CID 101422484
7-(2,3,4,5,6-pentafluorobenzoyl)azepan-2-one
CID 23202472
diphenylmethanone;5-oxopyrrolidine-2-carboxylic acid
CID 174442978
5-(4-methylbenzoyl)pyrrolidin-2-one
CID 86062507
6-(2-ethylbenzoyl)piperidin-2-one
CID 54106126
azetidin-2-yl(phenyl)methanone
CID 84651225
6-(4-butoxybenzoyl)piperidin-2-one
CID 54128984
(7S)-7-(3,4-dihydro-1H-isoquinoline-2-carbonyl)azepan-2-one
CID 129402879
(2-methylidenecycloheptyl)-phenylmethanone
CID 100964803
[(1S)-2-methylidenecycloheptyl]-phenylmethanone
CID 102046859

Frequently Asked Questions

What is the IUPAC name of 7-benzoylazepan-2-one?
The IUPAC name of 7-benzoylazepan-2-one (CID 70255305) is 7-benzoylazepan-2-one.
What is the SMILES notation for 7-benzoylazepan-2-one?
The canonical SMILES for 7-benzoylazepan-2-one is O=C1CCCCC(C(=O)c2ccccc2)N1.O=C1CCCCC(C(=O)c2ccccc2)N1.
What is the InChIKey of 7-benzoylazepan-2-one?
The InChIKey is JAPWKFBYDPHYNV-UHFFFAOYSA-N. The full InChI is InChI=1S/2C13H15NO2/c2*15-12-9-5-4-8-11(14-12)13(16)10-6-2-1-3-7-10/h2*1-3,6-7,11H,4-5,8-9H2,(H,14,15).
What are the key properties of 7-benzoylazepan-2-one?
7-benzoylazepan-2-one has a molecular weight of 434.54 g/mol, XLogP of 3.86, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-benzoylazepan-2-one is sourced from PubChem (CID 70255305), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).