[(1S,5R)-3-azabicyclo[3.1.0]hexan-6-yl]-[3-[3-(trifluoromethyl)phenyl]pyrrolidin-1-yl]methanone

C17H19F3N2O — CID 123600972

IUPAC[(1S,5R)-3-azabicyclo[3.1.0]hexan-6-yl]-[3-[3-(trifluoromethyl)phenyl]pyrrolidin-1-yl]methanone
SMILESO=C(C1[C@H]2CNC[C@@H]12)N1CCC(c2cccc(C(F)(F)F)c2)C1
InChIInChI=1S/C17H19F3N2O/c18-17(19,20)12-3-1-2-10(6-12)11-4-5-22(9-11)16(23)15-13-7-21-8-14(13)15/h1-3,6,11,13-15,21H,4-5,7-9H2/t11?,13-,14+,15?
InChIKeyOOASOAQSDZFQBM-LCBVDAKKSA-N
MW324.35 g/mol
LogP2.49
Rot. Bonds2

About [(1S,5R)-3-azabicyclo[3.1.0]hexan-6-yl]-[3-[3-(trifluoromethyl)phenyl]pyrrolidin-1-yl]methanone

[(1S,5R)-3-azabicyclo[3.1.0]hexan-6-yl]-[3-[3-(trifluoromethyl)phenyl]pyrrolidin-1-yl]methanone (PubChem CID 123600972) has the molecular formula C17H19F3N2O and a molecular weight of 324.35 g/mol. Its IUPAC name is [(1S,5R)-3-azabicyclo[3.1.0]hexan-6-yl]-[3-[3-(trifluoromethyl)phenyl]pyrrolidin-1-yl]methanone.

Molecular Properties

Compound Name[(1S,5R)-3-azabicyclo[3.1.0]hexan-6-yl]-[3-[3-(trifluoromethyl)phenyl]pyrrolidin-1-yl]methanone
PubChem CID123600972
Molecular FormulaC17H19F3N2O
Molecular Weight324.35 g/mol
Exact Mass324.14
IUPAC Name[(1S,5R)-3-azabicyclo[3.1.0]hexan-6-yl]-[3-[3-(trifluoromethyl)phenyl]pyrrolidin-1-yl]methanone
SMILESO=C(C1[C@H]2CNC[C@@H]12)N1CCC(c2cccc(C(F)(F)F)c2)C1
InChIInChI=1S/C17H19F3N2O/c18-17(19,20)12-3-1-2-10(6-12)11-4-5-22(9-11)16(23)15-13-7-21-8-14(13)15/h1-3,6,11,13-15,21H,4-5,7-9H2/t11?,13-,14+,15?
InChIKeyOOASOAQSDZFQBM-LCBVDAKKSA-N
XLogP2.49
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.35
LogP ≤ 52.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze [(1S,5R)-3-azabicyclo[3.1.0]hexan-6-yl]-[3-[3-(trifluoromethyl)phenyl]pyrrolidin-1-yl]methanone 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

[(1S,5R)-3-[4-(1-methylpyrazol-4-yl)cyclohexyl]-3-azabicyclo[3.1.0]hexan-6-yl]-[3-[3-(trifluoromethyl)phenyl]pyrrolidin-1-yl]methanone
CID 123770615
4-[3-[3-(trifluoromethyl)phenyl]piperidine-1-carbonyl]cyclohexane-1-carboxylic acid
CID 136553556
[(1S,5R)-3-(4-phenylcyclohexyl)-3-azabicyclo[3.1.0]hexan-6-yl]-[3-[3-(trifluoromethyl)phenyl]azetidin-1-yl]methanone
CID 123444138
pyrrolidin-1-yl-[4-[3-(trifluoromethyl)phenyl]pyrrolidin-3-yl]methanone
CID 42680057
1-methyl-3-[3-(trifluoromethyl)phenyl]pyrrolidine
CID 18722940
N,4-bis[3-(trifluoromethyl)phenyl]piperidine-1-carboxamide
CID 162535440
N-methyl-2-[4-[3-(trifluoromethyl)phenyl]piperidine-1-carbonyl]cyclohexane-1-carboxamide
CID 171152601
5-[[[3-[3-(trifluoromethyl)phenyl]pyrrolidine-1-carbonyl]amino]methyl]-1,2-oxazole-3-carboxamide
CID 154861132
1-methyl-4-[3-(trifluoromethyl)phenyl]piperidine
CID 18722963
1-cyclobutyl-3-(trifluoromethyl)benzene
CID 67441515
1-cyclopropyl-3-(trifluoromethyl)benzene
CID 12509713
(3-piperazin-1-ylpyrrolidin-1-yl)-[2-[3-(trifluoromethyl)phenyl]cyclopropyl]methanone;hydrochloride
CID 120996310

Frequently Asked Questions

What is the IUPAC name of [(1S,5R)-3-azabicyclo[3.1.0]hexan-6-yl]-[3-[3-(trifluoromethyl)phenyl]pyrrolidin-1-yl]methanone?
The IUPAC name of [(1S,5R)-3-azabicyclo[3.1.0]hexan-6-yl]-[3-[3-(trifluoromethyl)phenyl]pyrrolidin-1-yl]methanone (CID 123600972) is [(1S,5R)-3-azabicyclo[3.1.0]hexan-6-yl]-[3-[3-(trifluoromethyl)phenyl]pyrrolidin-1-yl]methanone.
What is the SMILES notation for [(1S,5R)-3-azabicyclo[3.1.0]hexan-6-yl]-[3-[3-(trifluoromethyl)phenyl]pyrrolidin-1-yl]methanone?
The canonical SMILES for [(1S,5R)-3-azabicyclo[3.1.0]hexan-6-yl]-[3-[3-(trifluoromethyl)phenyl]pyrrolidin-1-yl]methanone is O=C(C1[C@H]2CNC[C@@H]12)N1CCC(c2cccc(C(F)(F)F)c2)C1.
What is the InChIKey of [(1S,5R)-3-azabicyclo[3.1.0]hexan-6-yl]-[3-[3-(trifluoromethyl)phenyl]pyrrolidin-1-yl]methanone?
The InChIKey is OOASOAQSDZFQBM-LCBVDAKKSA-N. The full InChI is InChI=1S/C17H19F3N2O/c18-17(19,20)12-3-1-2-10(6-12)11-4-5-22(9-11)16(23)15-13-7-21-8-14(13)15/h1-3,6,11,13-15,21H,4-5,7-9H2/t11?,13-,14+,15?.
What are the key properties of [(1S,5R)-3-azabicyclo[3.1.0]hexan-6-yl]-[3-[3-(trifluoromethyl)phenyl]pyrrolidin-1-yl]methanone?
[(1S,5R)-3-azabicyclo[3.1.0]hexan-6-yl]-[3-[3-(trifluoromethyl)phenyl]pyrrolidin-1-yl]methanone has a molecular weight of 324.35 g/mol, XLogP of 2.49, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(1S,5R)-3-azabicyclo[3.1.0]hexan-6-yl]-[3-[3-(trifluoromethyl)phenyl]pyrrolidin-1-yl]methanone is sourced from PubChem (CID 123600972), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).