1-(5-methylspiro[4,5-dihydro-1H-2-benzazepine-3,1'-cyclopentane]-2-yl)ethanone

C17H23NO — CID 3147168

IUPAC1-(5-methylspiro[4,5-dihydro-1H-2-benzazepine-3,1'-cyclopentane]-2-yl)ethanone
SMILESCC(=O)N1Cc2ccccc2C(C)CC12CCCC2
InChIInChI=1S/C17H23NO/c1-13-11-17(9-5-6-10-17)18(14(2)19)12-15-7-3-4-8-16(13)15/h3-4,7-8,13H,5-6,9-12H2,1-2H3
InChIKeyALBZBWWWGPJPCB-UHFFFAOYSA-N
MW257.38 g/mol
LogP3.86
Rot. Bonds

About 1-(5-methylspiro[4,5-dihydro-1H-2-benzazepine-3,1'-cyclopentane]-2-yl)ethanone

1-(5-methylspiro[4,5-dihydro-1H-2-benzazepine-3,1'-cyclopentane]-2-yl)ethanone (PubChem CID 3147168) has the molecular formula C17H23NO and a molecular weight of 257.38 g/mol. Its IUPAC name is 1-(5-methylspiro[4,5-dihydro-1H-2-benzazepine-3,1'-cyclopentane]-2-yl)ethanone.

Molecular Properties

Compound Name1-(5-methylspiro[4,5-dihydro-1H-2-benzazepine-3,1'-cyclopentane]-2-yl)ethanone
PubChem CID3147168
Molecular FormulaC17H23NO
Molecular Weight257.38 g/mol
Exact Mass257.18
IUPAC Name1-(5-methylspiro[4,5-dihydro-1H-2-benzazepine-3,1'-cyclopentane]-2-yl)ethanone
SMILESCC(=O)N1Cc2ccccc2C(C)CC12CCCC2
InChIInChI=1S/C17H23NO/c1-13-11-17(9-5-6-10-17)18(14(2)19)12-15-7-3-4-8-16(13)15/h3-4,7-8,13H,5-6,9-12H2,1-2H3
InChIKeyALBZBWWWGPJPCB-UHFFFAOYSA-N
XLogP3.86
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.38
LogP ≤ 53.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

LOX inhibitor, 13
CID 123131598
N-Benzyl-N-methylisobutyramide
CID 4278282
1-(1,5,5-Trimethylspiro[1,4-dihydro-2-benzazepine-3,1'-cyclohexane]-2-yl)ethanone
CID 2942724
(5-methylspiro[4,5-dihydro-1H-2-benzazepine-3,1'-cyclopentane]-2-yl)-phenylmethanone
CID 3115785
1-ethyl-3-methyl-1,3,4,5-tetrahydro-2H-3-benzazepin-2-one
CID 4673107
4-[(2-methylphenyl)methyl]-1-[(E)-3-phenylprop-2-enyl]-1,4-diazepan-5-one
CID 44169938
4-[(2-Methylphenyl)methyl]-1-(3-phenylprop-2-enyl)-1,4-diazepan-5-one
CID 52944173
US11203600, Example 5
CID 142476076
Acetamide, N-(6,7,8,9-tetrahydro-5H-benzocyclohepten-5-yl)-
CID 37031
Acetamide, N-ethyl-N-(1-phenylethyl)-
CID 48102
2-acetyl-5-methylspiro[1H,4H,5H-benzo[e]azepine-3,1'-cyclohexane]
CID 2729789
2-methyl-1-(1'-methylspiro[3,5-dihydro-1H-2-benzazepine-4,2'-pyrrolidine]-2-yl)propan-1-one
CID 118740541

Frequently Asked Questions

What is the IUPAC name of 1-(5-methylspiro[4,5-dihydro-1H-2-benzazepine-3,1'-cyclopentane]-2-yl)ethanone?
The IUPAC name of 1-(5-methylspiro[4,5-dihydro-1H-2-benzazepine-3,1'-cyclopentane]-2-yl)ethanone (CID 3147168) is 1-(5-methylspiro[4,5-dihydro-1H-2-benzazepine-3,1'-cyclopentane]-2-yl)ethanone.
What is the SMILES notation for 1-(5-methylspiro[4,5-dihydro-1H-2-benzazepine-3,1'-cyclopentane]-2-yl)ethanone?
The canonical SMILES for 1-(5-methylspiro[4,5-dihydro-1H-2-benzazepine-3,1'-cyclopentane]-2-yl)ethanone is CC(=O)N1Cc2ccccc2C(C)CC12CCCC2.
What is the InChIKey of 1-(5-methylspiro[4,5-dihydro-1H-2-benzazepine-3,1'-cyclopentane]-2-yl)ethanone?
The InChIKey is ALBZBWWWGPJPCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23NO/c1-13-11-17(9-5-6-10-17)18(14(2)19)12-15-7-3-4-8-16(13)15/h3-4,7-8,13H,5-6,9-12H2,1-2H3.
What are the key properties of 1-(5-methylspiro[4,5-dihydro-1H-2-benzazepine-3,1'-cyclopentane]-2-yl)ethanone?
1-(5-methylspiro[4,5-dihydro-1H-2-benzazepine-3,1'-cyclopentane]-2-yl)ethanone has a molecular weight of 257.38 g/mol, XLogP of 3.86, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-methylspiro[4,5-dihydro-1H-2-benzazepine-3,1'-cyclopentane]-2-yl)ethanone is sourced from PubChem (CID 3147168), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).