N-(cyclohex-3-en-1-ylmethyl)-3-(trifluoromethyl)pyrrolidine-3-carboxamide

C13H19F3N2O — CID 55227652

IUPACN-(cyclohex-3-en-1-ylmethyl)-3-(trifluoromethyl)pyrrolidine-3-carboxamide
SMILESO=C(NCC1CC=CCC1)C1(C(F)(F)F)CCNC1
InChIInChI=1S/C13H19F3N2O/c14-13(15,16)12(6-7-17-9-12)11(19)18-8-10-4-2-1-3-5-10/h1-2,10,17H,3-9H2,(H,18,19)
InChIKeyPTDQGJMGGNPQRB-UHFFFAOYSA-N
MW276.30 g/mol
LogP2.00
Rot. Bonds3

About N-(cyclohex-3-en-1-ylmethyl)-3-(trifluoromethyl)pyrrolidine-3-carboxamide

N-(cyclohex-3-en-1-ylmethyl)-3-(trifluoromethyl)pyrrolidine-3-carboxamide (PubChem CID 55227652) has the molecular formula C13H19F3N2O and a molecular weight of 276.30 g/mol. Its IUPAC name is N-(cyclohex-3-en-1-ylmethyl)-3-(trifluoromethyl)pyrrolidine-3-carboxamide.

Molecular Properties

Compound NameN-(cyclohex-3-en-1-ylmethyl)-3-(trifluoromethyl)pyrrolidine-3-carboxamide
PubChem CID55227652
Molecular FormulaC13H19F3N2O
Molecular Weight276.30 g/mol
Exact Mass276.14
IUPAC NameN-(cyclohex-3-en-1-ylmethyl)-3-(trifluoromethyl)pyrrolidine-3-carboxamide
SMILESO=C(NCC1CC=CCC1)C1(C(F)(F)F)CCNC1
InChIInChI=1S/C13H19F3N2O/c14-13(15,16)12(6-7-17-9-12)11(19)18-8-10-4-2-1-3-5-10/h1-2,10,17H,3-9H2,(H,18,19)
InChIKeyPTDQGJMGGNPQRB-UHFFFAOYSA-N
XLogP2.00
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.30
LogP ≤ 52.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(cyclohex-3-en-1-ylmethyl)-3-(trifluoromethyl)pyrrolidine-3-carboxamide?
The IUPAC name of N-(cyclohex-3-en-1-ylmethyl)-3-(trifluoromethyl)pyrrolidine-3-carboxamide (CID 55227652) is N-(cyclohex-3-en-1-ylmethyl)-3-(trifluoromethyl)pyrrolidine-3-carboxamide.
What is the SMILES notation for N-(cyclohex-3-en-1-ylmethyl)-3-(trifluoromethyl)pyrrolidine-3-carboxamide?
The canonical SMILES for N-(cyclohex-3-en-1-ylmethyl)-3-(trifluoromethyl)pyrrolidine-3-carboxamide is O=C(NCC1CC=CCC1)C1(C(F)(F)F)CCNC1.
What is the InChIKey of N-(cyclohex-3-en-1-ylmethyl)-3-(trifluoromethyl)pyrrolidine-3-carboxamide?
The InChIKey is PTDQGJMGGNPQRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19F3N2O/c14-13(15,16)12(6-7-17-9-12)11(19)18-8-10-4-2-1-3-5-10/h1-2,10,17H,3-9H2,(H,18,19).
What are the key properties of N-(cyclohex-3-en-1-ylmethyl)-3-(trifluoromethyl)pyrrolidine-3-carboxamide?
N-(cyclohex-3-en-1-ylmethyl)-3-(trifluoromethyl)pyrrolidine-3-carboxamide has a molecular weight of 276.30 g/mol, XLogP of 2.00, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclohex-3-en-1-ylmethyl)-3-(trifluoromethyl)pyrrolidine-3-carboxamide is sourced from PubChem (CID 55227652), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).