N-cyclopent-3-en-1-yl-3-(trifluoromethyl)pyrrolidine-3-carboxamide

C11H15F3N2O — CID 113475298

IUPACN-cyclopent-3-en-1-yl-3-(trifluoromethyl)pyrrolidine-3-carboxamide
SMILESO=C(NC1CC=CC1)C1(C(F)(F)F)CCNC1
InChIInChI=1S/C11H15F3N2O/c12-11(13,14)10(5-6-15-7-10)9(17)16-8-3-1-2-4-8/h1-2,8,15H,3-7H2,(H,16,17)
InChIKeyROVNRTCDGHHRPS-UHFFFAOYSA-N
MW248.25 g/mol
LogP1.36
Rot. Bonds2

About N-cyclopent-3-en-1-yl-3-(trifluoromethyl)pyrrolidine-3-carboxamide

N-cyclopent-3-en-1-yl-3-(trifluoromethyl)pyrrolidine-3-carboxamide (PubChem CID 113475298) has the molecular formula C11H15F3N2O and a molecular weight of 248.25 g/mol. Its IUPAC name is N-cyclopent-3-en-1-yl-3-(trifluoromethyl)pyrrolidine-3-carboxamide.

Molecular Properties

Compound NameN-cyclopent-3-en-1-yl-3-(trifluoromethyl)pyrrolidine-3-carboxamide
PubChem CID113475298
Molecular FormulaC11H15F3N2O
Molecular Weight248.25 g/mol
Exact Mass248.11
IUPAC NameN-cyclopent-3-en-1-yl-3-(trifluoromethyl)pyrrolidine-3-carboxamide
SMILESO=C(NC1CC=CC1)C1(C(F)(F)F)CCNC1
InChIInChI=1S/C11H15F3N2O/c12-11(13,14)10(5-6-15-7-10)9(17)16-8-3-1-2-4-8/h1-2,8,15H,3-7H2,(H,16,17)
InChIKeyROVNRTCDGHHRPS-UHFFFAOYSA-N
XLogP1.36
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.25
LogP ≤ 51.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

N-(cyclohex-3-en-1-ylmethyl)-3-(trifluoromethyl)pyrrolidine-3-carboxamide
CID 55227652
N-cyclohex-3-en-1-yl-3-(trifluoromethyl)pyrrolidine-3-carboxamide
CID 65700477
4-amino-N-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methyl]cyclopent-2-ene-1-carboxamide
CID 79210952
N-[2-(cyclopenten-1-yl)ethyl]-3-(trifluoromethyl)pyrrolidine-3-carboxamide
CID 106175100
3,6-dihydro-2H-pyridin-1-yl-[3-(trifluoromethyl)pyrrolidin-3-yl]methanone
CID 113581268
N-pent-4-enyl-3-(trifluoromethyl)pyrrolidine-3-carboxamide
CID 114264860
N-[(E)-pent-3-enyl]-3-(trifluoromethyl)pyrrolidine-3-carboxamide
CID 116034765
N-but-3-enyl-3-(trifluoromethyl)pyrrolidine-3-carboxamide
CID 116034994
N-pent-4-en-2-yl-3-(trifluoromethyl)pyrrolidine-3-carboxamide
CID 116040745
N-but-3-en-2-yl-3-(trifluoromethyl)pyrrolidine-3-carboxamide
CID 116146669
N-methyl-N-pent-4-enyl-3-(trifluoromethyl)pyrrolidine-3-carboxamide
CID 116302567
N-cyclohex-3-en-1-yl-3-methylpyrrolidine-3-carboxamide
CID 65700081

Frequently Asked Questions

What is the IUPAC name of N-cyclopent-3-en-1-yl-3-(trifluoromethyl)pyrrolidine-3-carboxamide?
The IUPAC name of N-cyclopent-3-en-1-yl-3-(trifluoromethyl)pyrrolidine-3-carboxamide (CID 113475298) is N-cyclopent-3-en-1-yl-3-(trifluoromethyl)pyrrolidine-3-carboxamide.
What is the SMILES notation for N-cyclopent-3-en-1-yl-3-(trifluoromethyl)pyrrolidine-3-carboxamide?
The canonical SMILES for N-cyclopent-3-en-1-yl-3-(trifluoromethyl)pyrrolidine-3-carboxamide is O=C(NC1CC=CC1)C1(C(F)(F)F)CCNC1.
What is the InChIKey of N-cyclopent-3-en-1-yl-3-(trifluoromethyl)pyrrolidine-3-carboxamide?
The InChIKey is ROVNRTCDGHHRPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15F3N2O/c12-11(13,14)10(5-6-15-7-10)9(17)16-8-3-1-2-4-8/h1-2,8,15H,3-7H2,(H,16,17).
What are the key properties of N-cyclopent-3-en-1-yl-3-(trifluoromethyl)pyrrolidine-3-carboxamide?
N-cyclopent-3-en-1-yl-3-(trifluoromethyl)pyrrolidine-3-carboxamide has a molecular weight of 248.25 g/mol, XLogP of 1.36, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopent-3-en-1-yl-3-(trifluoromethyl)pyrrolidine-3-carboxamide is sourced from PubChem (CID 113475298), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).