cyclopentyl-(1'-ethylspiro[3,5-dihydro-1H-2-benzazepine-4,3'-pyrrolidine]-2-yl)methanone

C21H30N2O — CID 134787688

IUPACcyclopentyl-(1'-ethylspiro[3,5-dihydro-1H-2-benzazepine-4,3'-pyrrolidine]-2-yl)methanone
SMILESCCN1CCC2(Cc3ccccc3CN(C(=O)C3CCCC3)C2)C1
InChIInChI=1S/C21H30N2O/c1-2-22-12-11-21(15-22)13-18-9-5-6-10-19(18)14-23(16-21)20(24)17-7-3-4-8-17/h5-6,9-10,17H,2-4,7-8,11-16H2,1H3
InChIKeyFWURVSYSPUCIFA-UHFFFAOYSA-N
MW326.48 g/mol
LogP3.47
Rot. Bonds2

About cyclopentyl-(1'-ethylspiro[3,5-dihydro-1H-2-benzazepine-4,3'-pyrrolidine]-2-yl)methanone

cyclopentyl-(1'-ethylspiro[3,5-dihydro-1H-2-benzazepine-4,3'-pyrrolidine]-2-yl)methanone (PubChem CID 134787688) has the molecular formula C21H30N2O and a molecular weight of 326.48 g/mol. Its IUPAC name is cyclopentyl-(1'-ethylspiro[3,5-dihydro-1H-2-benzazepine-4,3'-pyrrolidine]-2-yl)methanone.

Molecular Properties

Compound Namecyclopentyl-(1'-ethylspiro[3,5-dihydro-1H-2-benzazepine-4,3'-pyrrolidine]-2-yl)methanone
PubChem CID134787688
Molecular FormulaC21H30N2O
Molecular Weight326.48 g/mol
Exact Mass326.24
IUPAC Namecyclopentyl-(1'-ethylspiro[3,5-dihydro-1H-2-benzazepine-4,3'-pyrrolidine]-2-yl)methanone
SMILESCCN1CCC2(Cc3ccccc3CN(C(=O)C3CCCC3)C2)C1
InChIInChI=1S/C21H30N2O/c1-2-22-12-11-21(15-22)13-18-9-5-6-10-19(18)14-23(16-21)20(24)17-7-3-4-8-17/h5-6,9-10,17H,2-4,7-8,11-16H2,1H3
InChIKeyFWURVSYSPUCIFA-UHFFFAOYSA-N
XLogP3.47
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.48
LogP ≤ 53.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze cyclopentyl-(1'-ethylspiro[3,5-dihydro-1H-2-benzazepine-4,3'-pyrrolidine]-2-yl)methanone with MolForge

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Related Compounds

1'-[(2-fluorophenyl)methyl]spiro[2,5-dihydro-1H-2-benzazepine-4,3'-pyrrolidine]-3-one
CID 134791139
Cambridge id 5658188
CID 3147168
2-methyl-1-(1'-methylspiro[3,5-dihydro-1H-2-benzazepine-4,2'-pyrrolidine]-2-yl)propan-1-one
CID 118740541
1-(1'-methylspiro[3,5-dihydro-1H-2-benzazepine-4,3'-pyrrolidine]-2-yl)butan-1-one
CID 118740600
(9aR)-8-tert-butyl-9a-phenyl-2,3,6,7,8,9-hexahydro-1H-pyrrolo[1,2-a]azepin-5-one
CID 53301216
(5R)-1-[(3S)-3-azido-3-phenylpropyl]-5-tert-butylazepan-2-one
CID 24789362
1-[1'-(cyclohexylmethyl)spiro[3,5-dihydro-1H-2-benzazepine-4,3'-piperidine]-2-yl]-2-methylpropan-1-one
CID 134788343
1'-[(2,4,6-trimethylphenyl)methyl]spiro[2,5-dihydro-1H-2-benzazepine-4,3'-pyrrolidine]-3-one
CID 134791335
US11203600, Example 3
CID 63663059
US10155733, Strucure 3f
CID 122664617
US11203600, Example 4
CID 146443129
2-(Cyclopentylcarbonyl)-7-(2,3-difluorobenzyl)-2,7-diazaspiro[4.5]decane
CID 45182590

Frequently Asked Questions

What is the IUPAC name of cyclopentyl-(1'-ethylspiro[3,5-dihydro-1H-2-benzazepine-4,3'-pyrrolidine]-2-yl)methanone?
The IUPAC name of cyclopentyl-(1'-ethylspiro[3,5-dihydro-1H-2-benzazepine-4,3'-pyrrolidine]-2-yl)methanone (CID 134787688) is cyclopentyl-(1'-ethylspiro[3,5-dihydro-1H-2-benzazepine-4,3'-pyrrolidine]-2-yl)methanone.
What is the SMILES notation for cyclopentyl-(1'-ethylspiro[3,5-dihydro-1H-2-benzazepine-4,3'-pyrrolidine]-2-yl)methanone?
The canonical SMILES for cyclopentyl-(1'-ethylspiro[3,5-dihydro-1H-2-benzazepine-4,3'-pyrrolidine]-2-yl)methanone is CCN1CCC2(Cc3ccccc3CN(C(=O)C3CCCC3)C2)C1.
What is the InChIKey of cyclopentyl-(1'-ethylspiro[3,5-dihydro-1H-2-benzazepine-4,3'-pyrrolidine]-2-yl)methanone?
The InChIKey is FWURVSYSPUCIFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H30N2O/c1-2-22-12-11-21(15-22)13-18-9-5-6-10-19(18)14-23(16-21)20(24)17-7-3-4-8-17/h5-6,9-10,17H,2-4,7-8,11-16H2,1H3.
What are the key properties of cyclopentyl-(1'-ethylspiro[3,5-dihydro-1H-2-benzazepine-4,3'-pyrrolidine]-2-yl)methanone?
cyclopentyl-(1'-ethylspiro[3,5-dihydro-1H-2-benzazepine-4,3'-pyrrolidine]-2-yl)methanone has a molecular weight of 326.48 g/mol, XLogP of 3.47, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for cyclopentyl-(1'-ethylspiro[3,5-dihydro-1H-2-benzazepine-4,3'-pyrrolidine]-2-yl)methanone is sourced from PubChem (CID 134787688), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).