1-[(E)-3-cyclopropylprop-2-enoyl]-3-fluoropyrrolidine-3-carboxylic acid

C11H14FNO3 — CID 115731707

IUPAC1-[(E)-3-cyclopropylprop-2-enoyl]-3-fluoropyrrolidine-3-carboxylic acid
SMILESO=C(/C=C/C1CC1)N1CCC(F)(C(=O)O)C1
InChIInChI=1S/C11H14FNO3/c12-11(10(15)16)5-6-13(7-11)9(14)4-3-8-1-2-8/h3-4,8H,1-2,5-7H2,(H,15,16)/b4-3+
InChIKeyOLSMALRKAFKYFC-ONEGZZNKSA-N
MW227.23 g/mol
LogP0.98
Rot. Bonds3

About 1-[(E)-3-cyclopropylprop-2-enoyl]-3-fluoropyrrolidine-3-carboxylic acid

1-[(E)-3-cyclopropylprop-2-enoyl]-3-fluoropyrrolidine-3-carboxylic acid (PubChem CID 115731707) has the molecular formula C11H14FNO3 and a molecular weight of 227.23 g/mol. Its IUPAC name is 1-[(E)-3-cyclopropylprop-2-enoyl]-3-fluoropyrrolidine-3-carboxylic acid.

Molecular Properties

Compound Name1-[(E)-3-cyclopropylprop-2-enoyl]-3-fluoropyrrolidine-3-carboxylic acid
PubChem CID115731707
Molecular FormulaC11H14FNO3
Molecular Weight227.23 g/mol
Exact Mass227.10
IUPAC Name1-[(E)-3-cyclopropylprop-2-enoyl]-3-fluoropyrrolidine-3-carboxylic acid
SMILESO=C(/C=C/C1CC1)N1CCC(F)(C(=O)O)C1
InChIInChI=1S/C11H14FNO3/c12-11(10(15)16)5-6-13(7-11)9(14)4-3-8-1-2-8/h3-4,8H,1-2,5-7H2,(H,15,16)/b4-3+
InChIKeyOLSMALRKAFKYFC-ONEGZZNKSA-N
XLogP0.98
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
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': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-[(E)-3-cyclopropylprop-2-enoyl]-3-fluoropyrrolidine-3-carboxylic acid?
The IUPAC name of 1-[(E)-3-cyclopropylprop-2-enoyl]-3-fluoropyrrolidine-3-carboxylic acid (CID 115731707) is 1-[(E)-3-cyclopropylprop-2-enoyl]-3-fluoropyrrolidine-3-carboxylic acid.
What is the SMILES notation for 1-[(E)-3-cyclopropylprop-2-enoyl]-3-fluoropyrrolidine-3-carboxylic acid?
The canonical SMILES for 1-[(E)-3-cyclopropylprop-2-enoyl]-3-fluoropyrrolidine-3-carboxylic acid is O=C(/C=C/C1CC1)N1CCC(F)(C(=O)O)C1.
What is the InChIKey of 1-[(E)-3-cyclopropylprop-2-enoyl]-3-fluoropyrrolidine-3-carboxylic acid?
The InChIKey is OLSMALRKAFKYFC-ONEGZZNKSA-N. The full InChI is InChI=1S/C11H14FNO3/c12-11(10(15)16)5-6-13(7-11)9(14)4-3-8-1-2-8/h3-4,8H,1-2,5-7H2,(H,15,16)/b4-3+.
What are the key properties of 1-[(E)-3-cyclopropylprop-2-enoyl]-3-fluoropyrrolidine-3-carboxylic acid?
1-[(E)-3-cyclopropylprop-2-enoyl]-3-fluoropyrrolidine-3-carboxylic acid has a molecular weight of 227.23 g/mol, XLogP of 0.98, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(E)-3-cyclopropylprop-2-enoyl]-3-fluoropyrrolidine-3-carboxylic acid is sourced from PubChem (CID 115731707), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).