1-(2-cyclopentylacetyl)-3,4-dihydro-2H-1-benzazepin-5-one

C17H21NO2 — CID 114336606

IUPAC1-(2-cyclopentylacetyl)-3,4-dihydro-2H-1-benzazepin-5-one
SMILESO=C1CCCN(C(=O)CC2CCCC2)c2ccccc21
InChIInChI=1S/C17H21NO2/c19-16-10-5-11-18(15-9-4-3-8-14(15)16)17(20)12-13-6-1-2-7-13/h3-4,8-9,13H,1-2,5-7,10-12H2
InChIKeySYYQGMRIBABTAD-UHFFFAOYSA-N
MW271.36 g/mol
LogP3.58
Rot. Bonds2

About 1-(2-cyclopentylacetyl)-3,4-dihydro-2H-1-benzazepin-5-one

1-(2-cyclopentylacetyl)-3,4-dihydro-2H-1-benzazepin-5-one (PubChem CID 114336606) has the molecular formula C17H21NO2 and a molecular weight of 271.36 g/mol. Its IUPAC name is 1-(2-cyclopentylacetyl)-3,4-dihydro-2H-1-benzazepin-5-one.

Molecular Properties

Compound Name1-(2-cyclopentylacetyl)-3,4-dihydro-2H-1-benzazepin-5-one
PubChem CID114336606
Molecular FormulaC17H21NO2
Molecular Weight271.36 g/mol
Exact Mass271.16
IUPAC Name1-(2-cyclopentylacetyl)-3,4-dihydro-2H-1-benzazepin-5-one
SMILESO=C1CCCN(C(=O)CC2CCCC2)c2ccccc21
InChIInChI=1S/C17H21NO2/c19-16-10-5-11-18(15-9-4-3-8-14(15)16)17(20)12-13-6-1-2-7-13/h3-4,8-9,13H,1-2,5-7,10-12H2
InChIKeySYYQGMRIBABTAD-UHFFFAOYSA-N
XLogP3.58
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.36
LogP ≤ 53.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-(5-amino-3,4-dihydro-2H-quinolin-1-yl)-2-cyclohexylethanone
CID 82707005
3-cyclohexyl-1-(3,4-dihydro-2H-quinolin-1-yl)propan-1-one
CID 2300886
1-(3-methylsulfanylpropanoyl)-3,4-dihydro-2H-1-benzazepin-5-one
CID 114336610
2-cycloheptyl-1-(2,3,4,5-tetrahydro-1,4-benzodiazepin-1-yl)ethanone;hydrochloride
CID 119521215
1-(3,4-dihydro-2H-quinolin-1-yl)-2-piperidin-3-ylethanone
CID 62690706
1-propanoyl-2,3-dihydroquinolin-4-one
CID 14501442
1-(2-methylpropanoyl)-3,4-dihydro-2H-1-benzazepin-5-one
CID 114336498
1-(1-methylcyclohexanecarbonyl)-3,4-dihydro-2H-1-benzazepin-5-one
CID 106827391
1-(2-cyclopentylacetyl)-2,3-dihydroindole-5-carboxylic acid
CID 45349399
1-(6-amino-3,4-dihydro-2H-quinolin-1-yl)-2-cyclobutylethanone
CID 103161499
1-(3-methylpiperidine-1-carbonyl)-3,4-dihydro-2H-1-benzazepin-5-one
CID 114336661
1-(5-amino-2,3-dihydroindol-1-yl)-2-cyclohexylethanone
CID 28776940

Frequently Asked Questions

What is the IUPAC name of 1-(2-cyclopentylacetyl)-3,4-dihydro-2H-1-benzazepin-5-one?
The IUPAC name of 1-(2-cyclopentylacetyl)-3,4-dihydro-2H-1-benzazepin-5-one (CID 114336606) is 1-(2-cyclopentylacetyl)-3,4-dihydro-2H-1-benzazepin-5-one.
What is the SMILES notation for 1-(2-cyclopentylacetyl)-3,4-dihydro-2H-1-benzazepin-5-one?
The canonical SMILES for 1-(2-cyclopentylacetyl)-3,4-dihydro-2H-1-benzazepin-5-one is O=C1CCCN(C(=O)CC2CCCC2)c2ccccc21.
What is the InChIKey of 1-(2-cyclopentylacetyl)-3,4-dihydro-2H-1-benzazepin-5-one?
The InChIKey is SYYQGMRIBABTAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21NO2/c19-16-10-5-11-18(15-9-4-3-8-14(15)16)17(20)12-13-6-1-2-7-13/h3-4,8-9,13H,1-2,5-7,10-12H2.
What are the key properties of 1-(2-cyclopentylacetyl)-3,4-dihydro-2H-1-benzazepin-5-one?
1-(2-cyclopentylacetyl)-3,4-dihydro-2H-1-benzazepin-5-one has a molecular weight of 271.36 g/mol, XLogP of 3.58, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-cyclopentylacetyl)-3,4-dihydro-2H-1-benzazepin-5-one is sourced from PubChem (CID 114336606), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).