(4-fluorospiro[2H-indole-3,1'-cyclopentane]-1-yl)-[(2S)-pyrrolidin-2-yl]methanone

C17H21FN2O — CID 129369998

IUPAC(4-fluorospiro[2H-indole-3,1'-cyclopentane]-1-yl)-[(2S)-pyrrolidin-2-yl]methanone
SMILESO=C([C@@H]1CCCN1)N1CC2(CCCC2)c2c(F)cccc21
InChIInChI=1S/C17H21FN2O/c18-12-5-3-7-14-15(12)17(8-1-2-9-17)11-20(14)16(21)13-6-4-10-19-13/h3,5,7,13,19H,1-2,4,6,8-11H2/t13-/m0/s1
InChIKeyGRPCGLZTXJJCOA-ZDUSSCGKSA-N
MW288.37 g/mol
LogP2.74
Rot. Bonds1

About (4-fluorospiro[2H-indole-3,1'-cyclopentane]-1-yl)-[(2S)-pyrrolidin-2-yl]methanone

(4-fluorospiro[2H-indole-3,1'-cyclopentane]-1-yl)-[(2S)-pyrrolidin-2-yl]methanone (PubChem CID 129369998) has the molecular formula C17H21FN2O and a molecular weight of 288.37 g/mol. Its IUPAC name is (4-fluorospiro[2H-indole-3,1'-cyclopentane]-1-yl)-[(2S)-pyrrolidin-2-yl]methanone.

Molecular Properties

Compound Name(4-fluorospiro[2H-indole-3,1'-cyclopentane]-1-yl)-[(2S)-pyrrolidin-2-yl]methanone
PubChem CID129369998
Molecular FormulaC17H21FN2O
Molecular Weight288.37 g/mol
Exact Mass288.16
IUPAC Name(4-fluorospiro[2H-indole-3,1'-cyclopentane]-1-yl)-[(2S)-pyrrolidin-2-yl]methanone
SMILESO=C([C@@H]1CCCN1)N1CC2(CCCC2)c2c(F)cccc21
InChIInChI=1S/C17H21FN2O/c18-12-5-3-7-14-15(12)17(8-1-2-9-17)11-20(14)16(21)13-6-4-10-19-13/h3,5,7,13,19H,1-2,4,6,8-11H2/t13-/m0/s1
InChIKeyGRPCGLZTXJJCOA-ZDUSSCGKSA-N
XLogP2.74
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.37
LogP ≤ 52.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(4-fluorospiro[2H-indole-3,1'-cyclopentane]-1-yl)-(1,3-thiazolidin-4-yl)methanone;hydrochloride
CID 119312873
trans-(1R,2R)-2-(4-fluorospiro[2H-indole-3,1'-cyclopentane]-1-carbonyl)cyclopropane-1-carboxylic acid
CID 97079075
1-(4-fluorospiro[2H-indole-3,1'-cyclobutane]-1-yl)ethanone
CID 127270027
2-amino-1-(4-fluorospiro[2H-indole-3,1'-cyclopentane]-1-yl)ethanone
CID 119312882
2-(8-azabicyclo[3.2.1]octan-3-yl)-1-(4-fluorospiro[2H-indole-3,1'-cyclopentane]-1-yl)ethanone
CID 119765165
(4-fluorospiro[2H-indole-3,1'-cyclopentane]-1-yl)-[4-(hydroxymethyl)phenyl]methanone
CID 166244109
[(2S,5R)-5-(aminomethyl)oxolan-2-yl]-(4-fluorospiro[2H-indole-3,1'-cyclobutane]-1-yl)methanone
CID 120791486
(4-fluorospiro[2H-indole-3,1'-cyclopentane]-1-yl)-(1,2,3,4-tetrahydroisoquinolin-7-yl)methanone
CID 166233205
(4-fluorospiro[2H-indole-3,1'-cyclopentane]-1-yl)-(1-piperidin-4-yltriazol-4-yl)methanone
CID 119765153
2-amino-1-(4-fluorospiro[2H-indole-3,1'-cyclopentane]-1-yl)-2-(oxan-4-yl)ethanone
CID 120791268
(4-fluorospiro[2H-indole-3,1'-cyclopentane]-1-yl)-(4-morpholin-4-ylphenyl)methanone
CID 166205209
(2S)-2-amino-1-(4-fluorospiro[2H-indole-3,1'-cyclopentane]-1-yl)-3,3-dimethylbutan-1-one;hydrochloride
CID 119765160

Frequently Asked Questions

What is the IUPAC name of (4-fluorospiro[2H-indole-3,1'-cyclopentane]-1-yl)-[(2S)-pyrrolidin-2-yl]methanone?
The IUPAC name of (4-fluorospiro[2H-indole-3,1'-cyclopentane]-1-yl)-[(2S)-pyrrolidin-2-yl]methanone (CID 129369998) is (4-fluorospiro[2H-indole-3,1'-cyclopentane]-1-yl)-[(2S)-pyrrolidin-2-yl]methanone.
What is the SMILES notation for (4-fluorospiro[2H-indole-3,1'-cyclopentane]-1-yl)-[(2S)-pyrrolidin-2-yl]methanone?
The canonical SMILES for (4-fluorospiro[2H-indole-3,1'-cyclopentane]-1-yl)-[(2S)-pyrrolidin-2-yl]methanone is O=C([C@@H]1CCCN1)N1CC2(CCCC2)c2c(F)cccc21.
What is the InChIKey of (4-fluorospiro[2H-indole-3,1'-cyclopentane]-1-yl)-[(2S)-pyrrolidin-2-yl]methanone?
The InChIKey is GRPCGLZTXJJCOA-ZDUSSCGKSA-N. The full InChI is InChI=1S/C17H21FN2O/c18-12-5-3-7-14-15(12)17(8-1-2-9-17)11-20(14)16(21)13-6-4-10-19-13/h3,5,7,13,19H,1-2,4,6,8-11H2/t13-/m0/s1.
What are the key properties of (4-fluorospiro[2H-indole-3,1'-cyclopentane]-1-yl)-[(2S)-pyrrolidin-2-yl]methanone?
(4-fluorospiro[2H-indole-3,1'-cyclopentane]-1-yl)-[(2S)-pyrrolidin-2-yl]methanone has a molecular weight of 288.37 g/mol, XLogP of 2.74, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4-fluorospiro[2H-indole-3,1'-cyclopentane]-1-yl)-[(2S)-pyrrolidin-2-yl]methanone is sourced from PubChem (CID 129369998), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).