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

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Related Compounds

N-(2-methylcyclopropyl)-3-(trifluoromethyl)pyrrolidine-3-carboxamide
CID 63709144
3-(trifluoromethyl)pyrrolidine-3-carbohydrazide
CID 63992790
N-cyclopropylsulfonyl-3-(trifluoromethyl)pyrrolidine-3-carboxamide
CID 103308296
N-(1-azabicyclo[2.2.2]octan-3-yl)-3-(trifluoromethyl)pyrrolidine-3-carboxamide
CID 63708403
N-[(3R)-pyrrolidin-3-yl]-1-(trifluoromethyl)cyclopropane-1-carboxamide
CID 166513683
N-(cyclohexylmethyl)-3-(trifluoromethyl)pyrrolidine-3-carboxamide
CID 63708236
(3R)-3-(trifluoromethyl)pyrrolidine-3-carboxylic acid
CID 51647572
N-methylsulfonyl-3-(trifluoromethyl)pyrrolidine-3-carboxamide
CID 103287344
N-(2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-yl)-3-(trifluoromethyl)pyrrolidine-3-carboxamide
CID 63709848
N-[(2,2,3,3-tetramethylcyclopropyl)methyl]-3-(trifluoromethyl)pyrrolidine-3-carboxamide
CID 79362855
N-[(3-hydroxycyclopentyl)methyl]-3-(trifluoromethyl)pyrrolidine-3-carboxamide
CID 106134159
N-(4-aminocyclohexyl)-3-methylpyrrolidine-3-carboxamide
CID 63142128

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).