1-(cyclopent-3-ene-1-carbonyl)-3-fluoropyrrolidine-3-carboxylic acid

C11H14FNO3 — CID 115731722

IUPAC1-(cyclopent-3-ene-1-carbonyl)-3-fluoropyrrolidine-3-carboxylic acid
SMILESO=C(C1CC=CC1)N1CCC(F)(C(=O)O)C1
InChIInChI=1S/C11H14FNO3/c12-11(10(15)16)5-6-13(7-11)9(14)8-3-1-2-4-8/h1-2,8H,3-7H2,(H,15,16)
InChIKeyLVZZYQXGRLLUJD-UHFFFAOYSA-N
MW227.23 g/mol
LogP0.98
Rot. Bonds2

About 1-(cyclopent-3-ene-1-carbonyl)-3-fluoropyrrolidine-3-carboxylic acid

1-(cyclopent-3-ene-1-carbonyl)-3-fluoropyrrolidine-3-carboxylic acid (PubChem CID 115731722) has the molecular formula C11H14FNO3 and a molecular weight of 227.23 g/mol. Its IUPAC name is 1-(cyclopent-3-ene-1-carbonyl)-3-fluoropyrrolidine-3-carboxylic acid.

Molecular Properties

Compound Name1-(cyclopent-3-ene-1-carbonyl)-3-fluoropyrrolidine-3-carboxylic acid
PubChem CID115731722
Molecular FormulaC11H14FNO3
Molecular Weight227.23 g/mol
Exact Mass227.10
IUPAC Name1-(cyclopent-3-ene-1-carbonyl)-3-fluoropyrrolidine-3-carboxylic acid
SMILESO=C(C1CC=CC1)N1CCC(F)(C(=O)O)C1
InChIInChI=1S/C11H14FNO3/c12-11(10(15)16)5-6-13(7-11)9(14)8-3-1-2-4-8/h1-2,8H,3-7H2,(H,15,16)
InChIKeyLVZZYQXGRLLUJD-UHFFFAOYSA-N
XLogP0.98
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.23
LogP ≤ 50.98
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-fluoropyrrolidine-3-carboxylic acid?
The IUPAC name of 1-(cyclopent-3-ene-1-carbonyl)-3-fluoropyrrolidine-3-carboxylic acid (CID 115731722) is 1-(cyclopent-3-ene-1-carbonyl)-3-fluoropyrrolidine-3-carboxylic acid.
What is the SMILES notation for 1-(cyclopent-3-ene-1-carbonyl)-3-fluoropyrrolidine-3-carboxylic acid?
The canonical SMILES for 1-(cyclopent-3-ene-1-carbonyl)-3-fluoropyrrolidine-3-carboxylic acid is O=C(C1CC=CC1)N1CCC(F)(C(=O)O)C1.
What is the InChIKey of 1-(cyclopent-3-ene-1-carbonyl)-3-fluoropyrrolidine-3-carboxylic acid?
The InChIKey is LVZZYQXGRLLUJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14FNO3/c12-11(10(15)16)5-6-13(7-11)9(14)8-3-1-2-4-8/h1-2,8H,3-7H2,(H,15,16).
What are the key properties of 1-(cyclopent-3-ene-1-carbonyl)-3-fluoropyrrolidine-3-carboxylic acid?
1-(cyclopent-3-ene-1-carbonyl)-3-fluoropyrrolidine-3-carboxylic acid has a molecular weight of 227.23 g/mol, XLogP of 0.98, 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-fluoropyrrolidine-3-carboxylic acid is sourced from PubChem (CID 115731722), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).