3-(2-aminophenyl)-1-spiro[2H-indole-3,1'-cyclopentane]-1-ylpropan-1-one;hydrochloride

C21H25ClN2O — CID 120611001

IUPAC3-(2-aminophenyl)-1-spiro[2H-indole-3,1'-cyclopentane]-1-ylpropan-1-one;hydrochloride
SMILESCl.Nc1ccccc1CCC(=O)N1CC2(CCCC2)c2ccccc21
InChIInChI=1S/C21H24N2O.ClH/c22-18-9-3-1-7-16(18)11-12-20(24)23-15-21(13-5-6-14-21)17-8-2-4-10-19(17)23;/h1-4,7-10H,5-6,11-15,22H2;1H
InChIKeyKEUDAQIWLFISFT-UHFFFAOYSA-N
MW356.90 g/mol
LogP4.48
Rot. Bonds3

About 3-(2-aminophenyl)-1-spiro[2H-indole-3,1'-cyclopentane]-1-ylpropan-1-one;hydrochloride

3-(2-aminophenyl)-1-spiro[2H-indole-3,1'-cyclopentane]-1-ylpropan-1-one;hydrochloride (PubChem CID 120611001) has the molecular formula C21H25ClN2O and a molecular weight of 356.90 g/mol. Its IUPAC name is 3-(2-aminophenyl)-1-spiro[2H-indole-3,1'-cyclopentane]-1-ylpropan-1-one;hydrochloride.

Molecular Properties

Compound Name3-(2-aminophenyl)-1-spiro[2H-indole-3,1'-cyclopentane]-1-ylpropan-1-one;hydrochloride
PubChem CID120611001
Molecular FormulaC21H25ClN2O
Molecular Weight356.90 g/mol
Exact Mass356.17
IUPAC Name3-(2-aminophenyl)-1-spiro[2H-indole-3,1'-cyclopentane]-1-ylpropan-1-one;hydrochloride
SMILESCl.Nc1ccccc1CCC(=O)N1CC2(CCCC2)c2ccccc21
InChIInChI=1S/C21H24N2O.ClH/c22-18-9-3-1-7-16(18)11-12-20(24)23-15-21(13-5-6-14-21)17-8-2-4-10-19(17)23;/h1-4,7-10H,5-6,11-15,22H2;1H
InChIKeyKEUDAQIWLFISFT-UHFFFAOYSA-N
XLogP4.48
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.90
LogP ≤ 54.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-(2-aminophenyl)-1-spiro[2H-indole-3,1'-cyclopentane]-1-ylpropan-1-one;hydrochloride?
The IUPAC name of 3-(2-aminophenyl)-1-spiro[2H-indole-3,1'-cyclopentane]-1-ylpropan-1-one;hydrochloride (CID 120611001) is 3-(2-aminophenyl)-1-spiro[2H-indole-3,1'-cyclopentane]-1-ylpropan-1-one;hydrochloride.
What is the SMILES notation for 3-(2-aminophenyl)-1-spiro[2H-indole-3,1'-cyclopentane]-1-ylpropan-1-one;hydrochloride?
The canonical SMILES for 3-(2-aminophenyl)-1-spiro[2H-indole-3,1'-cyclopentane]-1-ylpropan-1-one;hydrochloride is Cl.Nc1ccccc1CCC(=O)N1CC2(CCCC2)c2ccccc21.
What is the InChIKey of 3-(2-aminophenyl)-1-spiro[2H-indole-3,1'-cyclopentane]-1-ylpropan-1-one;hydrochloride?
The InChIKey is KEUDAQIWLFISFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N2O.ClH/c22-18-9-3-1-7-16(18)11-12-20(24)23-15-21(13-5-6-14-21)17-8-2-4-10-19(17)23;/h1-4,7-10H,5-6,11-15,22H2;1H.
What are the key properties of 3-(2-aminophenyl)-1-spiro[2H-indole-3,1'-cyclopentane]-1-ylpropan-1-one;hydrochloride?
3-(2-aminophenyl)-1-spiro[2H-indole-3,1'-cyclopentane]-1-ylpropan-1-one;hydrochloride has a molecular weight of 356.90 g/mol, XLogP of 4.48, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-aminophenyl)-1-spiro[2H-indole-3,1'-cyclopentane]-1-ylpropan-1-one;hydrochloride is sourced from PubChem (CID 120611001), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).