N-cyclopropyl-3-(trifluoromethyl)pyrrolidine-3-carboxamide

C9H13F3N2O — CID 63708209

IUPACN-cyclopropyl-3-(trifluoromethyl)pyrrolidine-3-carboxamide
SMILESO=C(NC1CC1)C1(C(F)(F)F)CCNC1
InChIInChI=1S/C9H13F3N2O/c10-9(11,12)8(3-4-13-5-8)7(15)14-6-1-2-6/h6,13H,1-5H2,(H,14,15)
InChIKeyADIOBVHPPFHRFO-UHFFFAOYSA-N
MW222.21 g/mol
LogP0.81
Rot. Bonds2

About N-cyclopropyl-3-(trifluoromethyl)pyrrolidine-3-carboxamide

N-cyclopropyl-3-(trifluoromethyl)pyrrolidine-3-carboxamide (PubChem CID 63708209) has the molecular formula C9H13F3N2O and a molecular weight of 222.21 g/mol. Its IUPAC name is N-cyclopropyl-3-(trifluoromethyl)pyrrolidine-3-carboxamide.

Molecular Properties

Compound NameN-cyclopropyl-3-(trifluoromethyl)pyrrolidine-3-carboxamide
PubChem CID63708209
Molecular FormulaC9H13F3N2O
Molecular Weight222.21 g/mol
Exact Mass222.10
IUPAC NameN-cyclopropyl-3-(trifluoromethyl)pyrrolidine-3-carboxamide
SMILESO=C(NC1CC1)C1(C(F)(F)F)CCNC1
InChIInChI=1S/C9H13F3N2O/c10-9(11,12)8(3-4-13-5-8)7(15)14-6-1-2-6/h6,13H,1-5H2,(H,14,15)
InChIKeyADIOBVHPPFHRFO-UHFFFAOYSA-N
XLogP0.81
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.21
LogP ≤ 50.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze N-cyclopropyl-3-(trifluoromethyl)pyrrolidine-3-carboxamide with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-3-(trifluoromethyl)pyrrolidine-3-carboxamide?
The IUPAC name of N-cyclopropyl-3-(trifluoromethyl)pyrrolidine-3-carboxamide (CID 63708209) is N-cyclopropyl-3-(trifluoromethyl)pyrrolidine-3-carboxamide.
What is the SMILES notation for N-cyclopropyl-3-(trifluoromethyl)pyrrolidine-3-carboxamide?
The canonical SMILES for N-cyclopropyl-3-(trifluoromethyl)pyrrolidine-3-carboxamide is O=C(NC1CC1)C1(C(F)(F)F)CCNC1.
What is the InChIKey of N-cyclopropyl-3-(trifluoromethyl)pyrrolidine-3-carboxamide?
The InChIKey is ADIOBVHPPFHRFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13F3N2O/c10-9(11,12)8(3-4-13-5-8)7(15)14-6-1-2-6/h6,13H,1-5H2,(H,14,15).
What are the key properties of N-cyclopropyl-3-(trifluoromethyl)pyrrolidine-3-carboxamide?
N-cyclopropyl-3-(trifluoromethyl)pyrrolidine-3-carboxamide has a molecular weight of 222.21 g/mol, XLogP of 0.81, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-3-(trifluoromethyl)pyrrolidine-3-carboxamide is sourced from PubChem (CID 63708209), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).