N-cyclopropyl-2-ethyl-N-(2,2,2-trifluoroethyl)pyrrolidine-2-carboxamide

C12H19F3N2O — CID 83072457

IUPACN-cyclopropyl-2-ethyl-N-(2,2,2-trifluoroethyl)pyrrolidine-2-carboxamide
SMILESCCC1(C(=O)N(CC(F)(F)F)C2CC2)CCCN1
InChIInChI=1S/C12H19F3N2O/c1-2-11(6-3-7-16-11)10(18)17(9-4-5-9)8-12(13,14)15/h9,16H,2-8H2,1H3
InChIKeyWWLNAGUMPMNJRE-UHFFFAOYSA-N
MW264.29 g/mol
LogP2.07
Rot. Bonds4

About N-cyclopropyl-2-ethyl-N-(2,2,2-trifluoroethyl)pyrrolidine-2-carboxamide

N-cyclopropyl-2-ethyl-N-(2,2,2-trifluoroethyl)pyrrolidine-2-carboxamide (PubChem CID 83072457) has the molecular formula C12H19F3N2O and a molecular weight of 264.29 g/mol. Its IUPAC name is N-cyclopropyl-2-ethyl-N-(2,2,2-trifluoroethyl)pyrrolidine-2-carboxamide.

Molecular Properties

Compound NameN-cyclopropyl-2-ethyl-N-(2,2,2-trifluoroethyl)pyrrolidine-2-carboxamide
PubChem CID83072457
Molecular FormulaC12H19F3N2O
Molecular Weight264.29 g/mol
Exact Mass264.14
IUPAC NameN-cyclopropyl-2-ethyl-N-(2,2,2-trifluoroethyl)pyrrolidine-2-carboxamide
SMILESCCC1(C(=O)N(CC(F)(F)F)C2CC2)CCCN1
InChIInChI=1S/C12H19F3N2O/c1-2-11(6-3-7-16-11)10(18)17(9-4-5-9)8-12(13,14)15/h9,16H,2-8H2,1H3
InChIKeyWWLNAGUMPMNJRE-UHFFFAOYSA-N
XLogP2.07
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.29
LogP ≤ 52.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(1-cyclopropylethyl)-2-ethyl-N-(2,2,2-trifluoroethyl)pyrrolidine-2-carboxamide
CID 83071498
N-cyclopropyl-2-ethyl-N-methylpyrrolidine-2-carboxamide
CID 83080870
2-ethyl-N-(2-hydroxyethyl)-N-(2,2,2-trifluoroethyl)pyrrolidine-2-carboxamide
CID 83072124
N-cyclopentyl-2-ethyl-N-(2-hydroxyethyl)pyrrolidine-2-carboxamide
CID 83071967
N-cyclopropyl-2-ethyl-N-[(4-fluorophenyl)methyl]pyrrolidine-2-carboxamide
CID 83064741
N-cyclopentyl-2-ethyl-N-(3-methylbutyl)pyrrolidine-2-carboxamide
CID 83074108
cyclopropyl-(2-ethylpyrrolidin-2-yl)methanone
CID 116608291
2-[cyclopropyl-(2-propylpyrrolidine-2-carbonyl)amino]acetic acid
CID 106974836
N-cyclopropyl-2-ethyl-N-[(1-methylimidazol-2-yl)methyl]pyrrolidine-2-carboxamide
CID 83071962
N-(1-cyclopropylethyl)-2-propyl-N-(2,2,2-trifluoroethyl)pyrrolidine-2-carboxamide
CID 106974581
2-ethyl-N-methyl-N-propan-2-ylpyrrolidine-2-carboxamide
CID 83080860
3-cyclopropyl-1-(2-ethylpyrrolidin-2-yl)propan-1-one
CID 116608261

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-2-ethyl-N-(2,2,2-trifluoroethyl)pyrrolidine-2-carboxamide?
The IUPAC name of N-cyclopropyl-2-ethyl-N-(2,2,2-trifluoroethyl)pyrrolidine-2-carboxamide (CID 83072457) is N-cyclopropyl-2-ethyl-N-(2,2,2-trifluoroethyl)pyrrolidine-2-carboxamide.
What is the SMILES notation for N-cyclopropyl-2-ethyl-N-(2,2,2-trifluoroethyl)pyrrolidine-2-carboxamide?
The canonical SMILES for N-cyclopropyl-2-ethyl-N-(2,2,2-trifluoroethyl)pyrrolidine-2-carboxamide is CCC1(C(=O)N(CC(F)(F)F)C2CC2)CCCN1.
What is the InChIKey of N-cyclopropyl-2-ethyl-N-(2,2,2-trifluoroethyl)pyrrolidine-2-carboxamide?
The InChIKey is WWLNAGUMPMNJRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19F3N2O/c1-2-11(6-3-7-16-11)10(18)17(9-4-5-9)8-12(13,14)15/h9,16H,2-8H2,1H3.
What are the key properties of N-cyclopropyl-2-ethyl-N-(2,2,2-trifluoroethyl)pyrrolidine-2-carboxamide?
N-cyclopropyl-2-ethyl-N-(2,2,2-trifluoroethyl)pyrrolidine-2-carboxamide has a molecular weight of 264.29 g/mol, XLogP of 2.07, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-2-ethyl-N-(2,2,2-trifluoroethyl)pyrrolidine-2-carboxamide is sourced from PubChem (CID 83072457), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).