1-pent-4-enoyl-3-(trifluoromethyl)pyrrolidine-3-carboxylic acid

C11H14F3NO3 — CID 63709062

IUPAC1-pent-4-enoyl-3-(trifluoromethyl)pyrrolidine-3-carboxylic acid
SMILESC=CCCC(=O)N1CCC(C(=O)O)(C(F)(F)F)C1
InChIInChI=1S/C11H14F3NO3/c1-2-3-4-8(16)15-6-5-10(7-15,9(17)18)11(12,13)14/h2H,1,3-7H2,(H,17,18)
InChIKeyBVTJGSCZPIICKR-UHFFFAOYSA-N
MW265.23 g/mol
LogP1.82
Rot. Bonds4

About 1-pent-4-enoyl-3-(trifluoromethyl)pyrrolidine-3-carboxylic acid

1-pent-4-enoyl-3-(trifluoromethyl)pyrrolidine-3-carboxylic acid (PubChem CID 63709062) has the molecular formula C11H14F3NO3 and a molecular weight of 265.23 g/mol. Its IUPAC name is 1-pent-4-enoyl-3-(trifluoromethyl)pyrrolidine-3-carboxylic acid.

Molecular Properties

Compound Name1-pent-4-enoyl-3-(trifluoromethyl)pyrrolidine-3-carboxylic acid
PubChem CID63709062
Molecular FormulaC11H14F3NO3
Molecular Weight265.23 g/mol
Exact Mass265.09
IUPAC Name1-pent-4-enoyl-3-(trifluoromethyl)pyrrolidine-3-carboxylic acid
SMILESC=CCCC(=O)N1CCC(C(=O)O)(C(F)(F)F)C1
InChIInChI=1S/C11H14F3NO3/c1-2-3-4-8(16)15-6-5-10(7-15,9(17)18)11(12,13)14/h2H,1,3-7H2,(H,17,18)
InChIKeyBVTJGSCZPIICKR-UHFFFAOYSA-N
XLogP1.82
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.23
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-pent-4-enoyl-3-(trifluoromethyl)pyrrolidine-3-carboxylic acid?
The IUPAC name of 1-pent-4-enoyl-3-(trifluoromethyl)pyrrolidine-3-carboxylic acid (CID 63709062) is 1-pent-4-enoyl-3-(trifluoromethyl)pyrrolidine-3-carboxylic acid.
What is the SMILES notation for 1-pent-4-enoyl-3-(trifluoromethyl)pyrrolidine-3-carboxylic acid?
The canonical SMILES for 1-pent-4-enoyl-3-(trifluoromethyl)pyrrolidine-3-carboxylic acid is C=CCCC(=O)N1CCC(C(=O)O)(C(F)(F)F)C1.
What is the InChIKey of 1-pent-4-enoyl-3-(trifluoromethyl)pyrrolidine-3-carboxylic acid?
The InChIKey is BVTJGSCZPIICKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14F3NO3/c1-2-3-4-8(16)15-6-5-10(7-15,9(17)18)11(12,13)14/h2H,1,3-7H2,(H,17,18).
What are the key properties of 1-pent-4-enoyl-3-(trifluoromethyl)pyrrolidine-3-carboxylic acid?
1-pent-4-enoyl-3-(trifluoromethyl)pyrrolidine-3-carboxylic acid has a molecular weight of 265.23 g/mol, XLogP of 1.82, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-pent-4-enoyl-3-(trifluoromethyl)pyrrolidine-3-carboxylic acid is sourced from PubChem (CID 63709062), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).