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

C13H21F3N2O — CID 55227459

IUPACN-butyl-N-cyclopropyl-3-(trifluoromethyl)pyrrolidine-3-carboxamide
SMILESCCCCN(C(=O)C1(C(F)(F)F)CCNC1)C1CC1
InChIInChI=1S/C13H21F3N2O/c1-2-3-8-18(10-4-5-10)11(19)12(13(14,15)16)6-7-17-9-12/h10,17H,2-9H2,1H3
InChIKeyVHKCDVTXFUMZAQ-UHFFFAOYSA-N
MW278.32 g/mol
LogP2.32
Rot. Bonds5

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

N-butyl-N-cyclopropyl-3-(trifluoromethyl)pyrrolidine-3-carboxamide (PubChem CID 55227459) has the molecular formula C13H21F3N2O and a molecular weight of 278.32 g/mol. Its IUPAC name is N-butyl-N-cyclopropyl-3-(trifluoromethyl)pyrrolidine-3-carboxamide.

Molecular Properties

Compound NameN-butyl-N-cyclopropyl-3-(trifluoromethyl)pyrrolidine-3-carboxamide
PubChem CID55227459
Molecular FormulaC13H21F3N2O
Molecular Weight278.32 g/mol
Exact Mass278.16
IUPAC NameN-butyl-N-cyclopropyl-3-(trifluoromethyl)pyrrolidine-3-carboxamide
SMILESCCCCN(C(=O)C1(C(F)(F)F)CCNC1)C1CC1
InChIInChI=1S/C13H21F3N2O/c1-2-3-8-18(10-4-5-10)11(19)12(13(14,15)16)6-7-17-9-12/h10,17H,2-9H2,1H3
InChIKeyVHKCDVTXFUMZAQ-UHFFFAOYSA-N
XLogP2.32
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.32
LogP ≤ 52.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-butyl-N-cyclopropyl-3-(trifluoromethyl)pyrrolidine-3-carboxamide?
The IUPAC name of N-butyl-N-cyclopropyl-3-(trifluoromethyl)pyrrolidine-3-carboxamide (CID 55227459) is N-butyl-N-cyclopropyl-3-(trifluoromethyl)pyrrolidine-3-carboxamide.
What is the SMILES notation for N-butyl-N-cyclopropyl-3-(trifluoromethyl)pyrrolidine-3-carboxamide?
The canonical SMILES for N-butyl-N-cyclopropyl-3-(trifluoromethyl)pyrrolidine-3-carboxamide is CCCCN(C(=O)C1(C(F)(F)F)CCNC1)C1CC1.
What is the InChIKey of N-butyl-N-cyclopropyl-3-(trifluoromethyl)pyrrolidine-3-carboxamide?
The InChIKey is VHKCDVTXFUMZAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21F3N2O/c1-2-3-8-18(10-4-5-10)11(19)12(13(14,15)16)6-7-17-9-12/h10,17H,2-9H2,1H3.
What are the key properties of N-butyl-N-cyclopropyl-3-(trifluoromethyl)pyrrolidine-3-carboxamide?
N-butyl-N-cyclopropyl-3-(trifluoromethyl)pyrrolidine-3-carboxamide has a molecular weight of 278.32 g/mol, XLogP of 2.32, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-N-cyclopropyl-3-(trifluoromethyl)pyrrolidine-3-carboxamide is sourced from PubChem (CID 55227459), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).