3-amino-2-methyl-1-spiro[2H-indole-3,1'-cyclopentane]-1-ylbutan-1-one;hydrochloride

C17H25ClN2O — CID 120501177

IUPAC3-amino-2-methyl-1-spiro[2H-indole-3,1'-cyclopentane]-1-ylbutan-1-one;hydrochloride
SMILESCC(N)C(C)C(=O)N1CC2(CCCC2)c2ccccc21.Cl
InChIInChI=1S/C17H24N2O.ClH/c1-12(13(2)18)16(20)19-11-17(9-5-6-10-17)14-7-3-4-8-15(14)19;/h3-4,7-8,12-13H,5-6,9-11,18H2,1-2H3;1H
InChIKeyGZSQSJLTQMOASO-UHFFFAOYSA-N
MW308.85 g/mol
LogP3.25
Rot. Bonds2

About 3-amino-2-methyl-1-spiro[2H-indole-3,1'-cyclopentane]-1-ylbutan-1-one;hydrochloride

3-amino-2-methyl-1-spiro[2H-indole-3,1'-cyclopentane]-1-ylbutan-1-one;hydrochloride (PubChem CID 120501177) has the molecular formula C17H25ClN2O and a molecular weight of 308.85 g/mol. Its IUPAC name is 3-amino-2-methyl-1-spiro[2H-indole-3,1'-cyclopentane]-1-ylbutan-1-one;hydrochloride.

Molecular Properties

Compound Name3-amino-2-methyl-1-spiro[2H-indole-3,1'-cyclopentane]-1-ylbutan-1-one;hydrochloride
PubChem CID120501177
Molecular FormulaC17H25ClN2O
Molecular Weight308.85 g/mol
Exact Mass308.17
IUPAC Name3-amino-2-methyl-1-spiro[2H-indole-3,1'-cyclopentane]-1-ylbutan-1-one;hydrochloride
SMILESCC(N)C(C)C(=O)N1CC2(CCCC2)c2ccccc21.Cl
InChIInChI=1S/C17H24N2O.ClH/c1-12(13(2)18)16(20)19-11-17(9-5-6-10-17)14-7-3-4-8-15(14)19;/h3-4,7-8,12-13H,5-6,9-11,18H2,1-2H3;1H
InChIKeyGZSQSJLTQMOASO-UHFFFAOYSA-N
XLogP3.25
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.85
LogP ≤ 53.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 3-amino-2-methyl-1-spiro[2H-indole-3,1'-cyclopentane]-1-ylbutan-1-one;hydrochloride with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

Spiro(indoline-3,4'-piperidin)-2-one, 1'-ethyl-
CID 3042076
Amedalin
CID 31075
N-cycloheptyl-1-(2,3-dimethylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 4877606
1'-[(1R)-3-(methylamino)-1-phenylpropyl]spiro[cyclohexane-1,3'-indol]-2'(1'H)-one
CID 16038376
1'-[(1R)-1-(3-fluorophenyl)-3-(methylamino)propyl]spiro[cyclohexane-1,3'-indol]-2'(1'H)-one
CID 16067546
(R)-7-fluoro-1-(1-(3-fluorophenyl)-3-(methylamino)propyl)-3,3-dimethylindolin-2-one
CID 16067547
(R)-3,3-dimethyl-1-(3-(methylamino)-1-phenylpropyl)indolin-2-one
CID 16067550
(R)-7-fluoro-3,3-dimethyl-1-(3-(methylamino)-1-phenylpropyl)indolin-2-one
CID 16067551
(R)-1-(1-(3,5-difluorophenyl)-3-(methylamino)propyl)-7-fluoro-3,3-dimethylindolin-2-one
CID 16067840
1-[5-[2-(Piperidin-4-ylmethylamino)cyclopropyl]-2,3-dihydroindol-1-yl]pentan-1-one
CID 132240690
1-[5-[2-(Piperidin-4-ylmethylamino)cyclopropyl]-2,3-dihydroindol-1-yl]butan-1-one
CID 132240698
1-[5-[2-(Piperidin-4-ylmethylamino)cyclopropyl]-2,3-dihydroindol-1-yl]propan-1-one
CID 132240701

Frequently Asked Questions

What is the IUPAC name of 3-amino-2-methyl-1-spiro[2H-indole-3,1'-cyclopentane]-1-ylbutan-1-one;hydrochloride?
The IUPAC name of 3-amino-2-methyl-1-spiro[2H-indole-3,1'-cyclopentane]-1-ylbutan-1-one;hydrochloride (CID 120501177) is 3-amino-2-methyl-1-spiro[2H-indole-3,1'-cyclopentane]-1-ylbutan-1-one;hydrochloride.
What is the SMILES notation for 3-amino-2-methyl-1-spiro[2H-indole-3,1'-cyclopentane]-1-ylbutan-1-one;hydrochloride?
The canonical SMILES for 3-amino-2-methyl-1-spiro[2H-indole-3,1'-cyclopentane]-1-ylbutan-1-one;hydrochloride is CC(N)C(C)C(=O)N1CC2(CCCC2)c2ccccc21.Cl.
What is the InChIKey of 3-amino-2-methyl-1-spiro[2H-indole-3,1'-cyclopentane]-1-ylbutan-1-one;hydrochloride?
The InChIKey is GZSQSJLTQMOASO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N2O.ClH/c1-12(13(2)18)16(20)19-11-17(9-5-6-10-17)14-7-3-4-8-15(14)19;/h3-4,7-8,12-13H,5-6,9-11,18H2,1-2H3;1H.
What are the key properties of 3-amino-2-methyl-1-spiro[2H-indole-3,1'-cyclopentane]-1-ylbutan-1-one;hydrochloride?
3-amino-2-methyl-1-spiro[2H-indole-3,1'-cyclopentane]-1-ylbutan-1-one;hydrochloride has a molecular weight of 308.85 g/mol, XLogP of 3.25, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-2-methyl-1-spiro[2H-indole-3,1'-cyclopentane]-1-ylbutan-1-one;hydrochloride is sourced from PubChem (CID 120501177), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).