1-(cyclopent-3-ene-1-carbonyl)-3-(trifluoromethyl)pyrrolidine-3-carboxylic acid

C12H14F3NO3 — CID 64767361

IUPAC1-(cyclopent-3-ene-1-carbonyl)-3-(trifluoromethyl)pyrrolidine-3-carboxylic acid
SMILESO=C(C1CC=CC1)N1CCC(C(=O)O)(C(F)(F)F)C1
InChIInChI=1S/C12H14F3NO3/c13-12(14,15)11(10(18)19)5-6-16(7-11)9(17)8-3-1-2-4-8/h1-2,8H,3-7H2,(H,18,19)
InChIKeyJVMYFDPPROCJJJ-UHFFFAOYSA-N
MW277.24 g/mol
LogP1.82
Rot. Bonds2

About 1-(cyclopent-3-ene-1-carbonyl)-3-(trifluoromethyl)pyrrolidine-3-carboxylic acid

1-(cyclopent-3-ene-1-carbonyl)-3-(trifluoromethyl)pyrrolidine-3-carboxylic acid (PubChem CID 64767361) has the molecular formula C12H14F3NO3 and a molecular weight of 277.24 g/mol. Its IUPAC name is 1-(cyclopent-3-ene-1-carbonyl)-3-(trifluoromethyl)pyrrolidine-3-carboxylic acid.

Molecular Properties

Compound Name1-(cyclopent-3-ene-1-carbonyl)-3-(trifluoromethyl)pyrrolidine-3-carboxylic acid
PubChem CID64767361
Molecular FormulaC12H14F3NO3
Molecular Weight277.24 g/mol
Exact Mass277.09
IUPAC Name1-(cyclopent-3-ene-1-carbonyl)-3-(trifluoromethyl)pyrrolidine-3-carboxylic acid
SMILESO=C(C1CC=CC1)N1CCC(C(=O)O)(C(F)(F)F)C1
InChIInChI=1S/C12H14F3NO3/c13-12(14,15)11(10(18)19)5-6-16(7-11)9(17)8-3-1-2-4-8/h1-2,8H,3-7H2,(H,18,19)
InChIKeyJVMYFDPPROCJJJ-UHFFFAOYSA-N
XLogP1.82
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.24
LogP ≤ 51.82
H-Bond Donors ≤ 51
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 1-(cyclopent-3-ene-1-carbonyl)-3-(trifluoromethyl)pyrrolidine-3-carboxylic acid?
The IUPAC name of 1-(cyclopent-3-ene-1-carbonyl)-3-(trifluoromethyl)pyrrolidine-3-carboxylic acid (CID 64767361) is 1-(cyclopent-3-ene-1-carbonyl)-3-(trifluoromethyl)pyrrolidine-3-carboxylic acid.
What is the SMILES notation for 1-(cyclopent-3-ene-1-carbonyl)-3-(trifluoromethyl)pyrrolidine-3-carboxylic acid?
The canonical SMILES for 1-(cyclopent-3-ene-1-carbonyl)-3-(trifluoromethyl)pyrrolidine-3-carboxylic acid is O=C(C1CC=CC1)N1CCC(C(=O)O)(C(F)(F)F)C1.
What is the InChIKey of 1-(cyclopent-3-ene-1-carbonyl)-3-(trifluoromethyl)pyrrolidine-3-carboxylic acid?
The InChIKey is JVMYFDPPROCJJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14F3NO3/c13-12(14,15)11(10(18)19)5-6-16(7-11)9(17)8-3-1-2-4-8/h1-2,8H,3-7H2,(H,18,19).
What are the key properties of 1-(cyclopent-3-ene-1-carbonyl)-3-(trifluoromethyl)pyrrolidine-3-carboxylic acid?
1-(cyclopent-3-ene-1-carbonyl)-3-(trifluoromethyl)pyrrolidine-3-carboxylic acid has a molecular weight of 277.24 g/mol, XLogP of 1.82, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(cyclopent-3-ene-1-carbonyl)-3-(trifluoromethyl)pyrrolidine-3-carboxylic acid is sourced from PubChem (CID 64767361), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).