N-[2-(cyclopenten-1-yl)ethyl]-3-(trifluoromethyl)pyrrolidine-3-carboxamide

C13H19F3N2O — CID 106175100

IUPACN-[2-(cyclopenten-1-yl)ethyl]-3-(trifluoromethyl)pyrrolidine-3-carboxamide
SMILESO=C(NCCC1=CCCC1)C1(C(F)(F)F)CCNC1
InChIInChI=1S/C13H19F3N2O/c14-13(15,16)12(6-8-17-9-12)11(19)18-7-5-10-3-1-2-4-10/h3,17H,1-2,4-9H2,(H,18,19)
InChIKeyOAFODBQHGUQNDK-UHFFFAOYSA-N
MW276.30 g/mol
LogP2.14
Rot. Bonds4

About N-[2-(cyclopenten-1-yl)ethyl]-3-(trifluoromethyl)pyrrolidine-3-carboxamide

N-[2-(cyclopenten-1-yl)ethyl]-3-(trifluoromethyl)pyrrolidine-3-carboxamide (PubChem CID 106175100) has the molecular formula C13H19F3N2O and a molecular weight of 276.30 g/mol. Its IUPAC name is N-[2-(cyclopenten-1-yl)ethyl]-3-(trifluoromethyl)pyrrolidine-3-carboxamide.

Molecular Properties

Compound NameN-[2-(cyclopenten-1-yl)ethyl]-3-(trifluoromethyl)pyrrolidine-3-carboxamide
PubChem CID106175100
Molecular FormulaC13H19F3N2O
Molecular Weight276.30 g/mol
Exact Mass276.14
IUPAC NameN-[2-(cyclopenten-1-yl)ethyl]-3-(trifluoromethyl)pyrrolidine-3-carboxamide
SMILESO=C(NCCC1=CCCC1)C1(C(F)(F)F)CCNC1
InChIInChI=1S/C13H19F3N2O/c14-13(15,16)12(6-8-17-9-12)11(19)18-7-5-10-3-1-2-4-10/h3,17H,1-2,4-9H2,(H,18,19)
InChIKeyOAFODBQHGUQNDK-UHFFFAOYSA-N
XLogP2.14
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.30
LogP ≤ 52.14
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-[2-(cyclohexen-1-yl)ethyl]-3-(trifluoromethyl)pyrrolidine-3-carboxamide
CID 63708593
N-cyclohex-3-en-1-yl-3-(trifluoromethyl)pyrrolidine-3-carboxamide
CID 65700477
(5-methyl-3,6-dihydro-2H-pyridin-1-yl)-[3-(trifluoromethyl)pyrrolidin-3-yl]methanone
CID 106313755
N-cyclopent-3-en-1-yl-3-(trifluoromethyl)pyrrolidine-3-carboxamide
CID 113475298
(4-methyl-3,6-dihydro-2H-pyridin-1-yl)-[3-(trifluoromethyl)pyrrolidin-3-yl]methanone
CID 113581338
(3-methylpyrrolidin-3-yl)-[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]methanone
CID 113591641
N-pent-4-enyl-3-(trifluoromethyl)pyrrolidine-3-carboxamide
CID 114264860
(4-tert-butyl-3,6-dihydro-2H-pyridin-1-yl)-[3-(trifluoromethyl)pyrrolidin-3-yl]methanone
CID 114459950
(3-ethylpyrrolidin-3-yl)-[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]methanone
CID 114489772
(3-propylpyrrolidin-3-yl)-[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]methanone
CID 114489810
N-[(E)-pent-3-enyl]-3-(trifluoromethyl)pyrrolidine-3-carboxamide
CID 116034765

Frequently Asked Questions

What is the IUPAC name of N-[2-(cyclopenten-1-yl)ethyl]-3-(trifluoromethyl)pyrrolidine-3-carboxamide?
The IUPAC name of N-[2-(cyclopenten-1-yl)ethyl]-3-(trifluoromethyl)pyrrolidine-3-carboxamide (CID 106175100) is N-[2-(cyclopenten-1-yl)ethyl]-3-(trifluoromethyl)pyrrolidine-3-carboxamide.
What is the SMILES notation for N-[2-(cyclopenten-1-yl)ethyl]-3-(trifluoromethyl)pyrrolidine-3-carboxamide?
The canonical SMILES for N-[2-(cyclopenten-1-yl)ethyl]-3-(trifluoromethyl)pyrrolidine-3-carboxamide is O=C(NCCC1=CCCC1)C1(C(F)(F)F)CCNC1.
What is the InChIKey of N-[2-(cyclopenten-1-yl)ethyl]-3-(trifluoromethyl)pyrrolidine-3-carboxamide?
The InChIKey is OAFODBQHGUQNDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19F3N2O/c14-13(15,16)12(6-8-17-9-12)11(19)18-7-5-10-3-1-2-4-10/h3,17H,1-2,4-9H2,(H,18,19).
What are the key properties of N-[2-(cyclopenten-1-yl)ethyl]-3-(trifluoromethyl)pyrrolidine-3-carboxamide?
N-[2-(cyclopenten-1-yl)ethyl]-3-(trifluoromethyl)pyrrolidine-3-carboxamide has a molecular weight of 276.30 g/mol, XLogP of 2.14, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(cyclopenten-1-yl)ethyl]-3-(trifluoromethyl)pyrrolidine-3-carboxamide is sourced from PubChem (CID 106175100), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).