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

C22H25NO — CID 3115785

IUPAC(5-methylspiro[4,5-dihydro-1H-2-benzazepine-3,1'-cyclopentane]-2-yl)-phenylmethanone
SMILESCC1CC2(CCCC2)N(C(=O)c2ccccc2)Cc2ccccc21
InChIInChI=1S/C22H25NO/c1-17-15-22(13-7-8-14-22)23(16-19-11-5-6-12-20(17)19)21(24)18-9-3-2-4-10-18/h2-6,9-12,17H,7-8,13-16H2,1H3
InChIKeyHGBGVSISVCEHRA-UHFFFAOYSA-N
MW319.45 g/mol
LogP5.15
Rot. Bonds1

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

(5-methylspiro[4,5-dihydro-1H-2-benzazepine-3,1'-cyclopentane]-2-yl)-phenylmethanone (PubChem CID 3115785) has the molecular formula C22H25NO and a molecular weight of 319.45 g/mol. Its IUPAC name is (5-methylspiro[4,5-dihydro-1H-2-benzazepine-3,1'-cyclopentane]-2-yl)-phenylmethanone.

Molecular Properties

Compound Name(5-methylspiro[4,5-dihydro-1H-2-benzazepine-3,1'-cyclopentane]-2-yl)-phenylmethanone
PubChem CID3115785
Molecular FormulaC22H25NO
Molecular Weight319.45 g/mol
Exact Mass319.19
IUPAC Name(5-methylspiro[4,5-dihydro-1H-2-benzazepine-3,1'-cyclopentane]-2-yl)-phenylmethanone
SMILESCC1CC2(CCCC2)N(C(=O)c2ccccc2)Cc2ccccc21
InChIInChI=1S/C22H25NO/c1-17-15-22(13-7-8-14-22)23(16-19-11-5-6-12-20(17)19)21(24)18-9-3-2-4-10-18/h2-6,9-12,17H,7-8,13-16H2,1H3
InChIKeyHGBGVSISVCEHRA-UHFFFAOYSA-N
XLogP5.15
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500319.45
LogP ≤ 55.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of (5-methylspiro[4,5-dihydro-1H-2-benzazepine-3,1'-cyclopentane]-2-yl)-phenylmethanone?
The IUPAC name of (5-methylspiro[4,5-dihydro-1H-2-benzazepine-3,1'-cyclopentane]-2-yl)-phenylmethanone (CID 3115785) is (5-methylspiro[4,5-dihydro-1H-2-benzazepine-3,1'-cyclopentane]-2-yl)-phenylmethanone.
What is the SMILES notation for (5-methylspiro[4,5-dihydro-1H-2-benzazepine-3,1'-cyclopentane]-2-yl)-phenylmethanone?
The canonical SMILES for (5-methylspiro[4,5-dihydro-1H-2-benzazepine-3,1'-cyclopentane]-2-yl)-phenylmethanone is CC1CC2(CCCC2)N(C(=O)c2ccccc2)Cc2ccccc21.
What is the InChIKey of (5-methylspiro[4,5-dihydro-1H-2-benzazepine-3,1'-cyclopentane]-2-yl)-phenylmethanone?
The InChIKey is HGBGVSISVCEHRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25NO/c1-17-15-22(13-7-8-14-22)23(16-19-11-5-6-12-20(17)19)21(24)18-9-3-2-4-10-18/h2-6,9-12,17H,7-8,13-16H2,1H3.
What are the key properties of (5-methylspiro[4,5-dihydro-1H-2-benzazepine-3,1'-cyclopentane]-2-yl)-phenylmethanone?
(5-methylspiro[4,5-dihydro-1H-2-benzazepine-3,1'-cyclopentane]-2-yl)-phenylmethanone has a molecular weight of 319.45 g/mol, XLogP of 5.15, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (5-methylspiro[4,5-dihydro-1H-2-benzazepine-3,1'-cyclopentane]-2-yl)-phenylmethanone is sourced from PubChem (CID 3115785), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).