1-[(E)-3-(4-fluorophenyl)prop-2-enoyl]pyrrolidine-2-carboxylic acid

C14H14FNO3 — CID 6009888

IUPAC1-[(E)-3-(4-fluorophenyl)prop-2-enoyl]pyrrolidine-2-carboxylic acid
SMILESO=C(O)C1CCCN1C(=O)/C=C/c1ccc(F)cc1
InChIInChI=1S/C14H14FNO3/c15-11-6-3-10(4-7-11)5-8-13(17)16-9-1-2-12(16)14(18)19/h3-8,12H,1-2,9H2,(H,18,19)/b8-5+
InChIKeyZLKVXXNVPOYBLY-VMPITWQZSA-N
MW263.27 g/mol
LogP1.91
Rot. Bonds3

About 1-[(E)-3-(4-fluorophenyl)prop-2-enoyl]pyrrolidine-2-carboxylic acid

1-[(E)-3-(4-fluorophenyl)prop-2-enoyl]pyrrolidine-2-carboxylic acid (PubChem CID 6009888) has the molecular formula C14H14FNO3 and a molecular weight of 263.27 g/mol. Its IUPAC name is 1-[(E)-3-(4-fluorophenyl)prop-2-enoyl]pyrrolidine-2-carboxylic acid.

Molecular Properties

Compound Name1-[(E)-3-(4-fluorophenyl)prop-2-enoyl]pyrrolidine-2-carboxylic acid
PubChem CID6009888
Molecular FormulaC14H14FNO3
Molecular Weight263.27 g/mol
Exact Mass263.10
IUPAC Name1-[(E)-3-(4-fluorophenyl)prop-2-enoyl]pyrrolidine-2-carboxylic acid
SMILESO=C(O)C1CCCN1C(=O)/C=C/c1ccc(F)cc1
InChIInChI=1S/C14H14FNO3/c15-11-6-3-10(4-7-11)5-8-13(17)16-9-1-2-12(16)14(18)19/h3-8,12H,1-2,9H2,(H,18,19)/b8-5+
InChIKeyZLKVXXNVPOYBLY-VMPITWQZSA-N
XLogP1.91
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.27
LogP ≤ 51.91
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-(4-fluorophenyl)prop-2-enoyl]pyrrolidine-2-carboxylic acid?
The IUPAC name of 1-[(E)-3-(4-fluorophenyl)prop-2-enoyl]pyrrolidine-2-carboxylic acid (CID 6009888) is 1-[(E)-3-(4-fluorophenyl)prop-2-enoyl]pyrrolidine-2-carboxylic acid.
What is the SMILES notation for 1-[(E)-3-(4-fluorophenyl)prop-2-enoyl]pyrrolidine-2-carboxylic acid?
The canonical SMILES for 1-[(E)-3-(4-fluorophenyl)prop-2-enoyl]pyrrolidine-2-carboxylic acid is O=C(O)C1CCCN1C(=O)/C=C/c1ccc(F)cc1.
What is the InChIKey of 1-[(E)-3-(4-fluorophenyl)prop-2-enoyl]pyrrolidine-2-carboxylic acid?
The InChIKey is ZLKVXXNVPOYBLY-VMPITWQZSA-N. The full InChI is InChI=1S/C14H14FNO3/c15-11-6-3-10(4-7-11)5-8-13(17)16-9-1-2-12(16)14(18)19/h3-8,12H,1-2,9H2,(H,18,19)/b8-5+.
What are the key properties of 1-[(E)-3-(4-fluorophenyl)prop-2-enoyl]pyrrolidine-2-carboxylic acid?
1-[(E)-3-(4-fluorophenyl)prop-2-enoyl]pyrrolidine-2-carboxylic acid has a molecular weight of 263.27 g/mol, XLogP of 1.91, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(E)-3-(4-fluorophenyl)prop-2-enoyl]pyrrolidine-2-carboxylic acid is sourced from PubChem (CID 6009888), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).