(2-oxo-2-pyrrolidin-1-ylethyl) (E)-3-(3-fluorophenyl)prop-2-enoate

C15H16FNO3 — CID 2376847

IUPAC(2-oxo-2-pyrrolidin-1-ylethyl) (E)-3-(3-fluorophenyl)prop-2-enoate
SMILESO=C(/C=C/c1cccc(F)c1)OCC(=O)N1CCCC1
InChIInChI=1S/C15H16FNO3/c16-13-5-3-4-12(10-13)6-7-15(19)20-11-14(18)17-8-1-2-9-17/h3-7,10H,1-2,8-9,11H2/b7-6+
InChIKeyNROSDSHPFSDCGN-VOTSOKGWSA-N
MW277.30 g/mol
LogP2.00
Rot. Bonds4

About (2-oxo-2-pyrrolidin-1-ylethyl) (E)-3-(3-fluorophenyl)prop-2-enoate

(2-oxo-2-pyrrolidin-1-ylethyl) (E)-3-(3-fluorophenyl)prop-2-enoate (PubChem CID 2376847) has the molecular formula C15H16FNO3 and a molecular weight of 277.30 g/mol. Its IUPAC name is (2-oxo-2-pyrrolidin-1-ylethyl) (E)-3-(3-fluorophenyl)prop-2-enoate.

Molecular Properties

Compound Name(2-oxo-2-pyrrolidin-1-ylethyl) (E)-3-(3-fluorophenyl)prop-2-enoate
PubChem CID2376847
Molecular FormulaC15H16FNO3
Molecular Weight277.30 g/mol
Exact Mass277.11
IUPAC Name(2-oxo-2-pyrrolidin-1-ylethyl) (E)-3-(3-fluorophenyl)prop-2-enoate
SMILESO=C(/C=C/c1cccc(F)c1)OCC(=O)N1CCCC1
InChIInChI=1S/C15H16FNO3/c16-13-5-3-4-12(10-13)6-7-15(19)20-11-14(18)17-8-1-2-9-17/h3-7,10H,1-2,8-9,11H2/b7-6+
InChIKeyNROSDSHPFSDCGN-VOTSOKGWSA-N
XLogP2.00
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.30
LogP ≤ 52.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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 (2-oxo-2-pyrrolidin-1-ylethyl) (E)-3-(3-fluorophenyl)prop-2-enoate?
The IUPAC name of (2-oxo-2-pyrrolidin-1-ylethyl) (E)-3-(3-fluorophenyl)prop-2-enoate (CID 2376847) is (2-oxo-2-pyrrolidin-1-ylethyl) (E)-3-(3-fluorophenyl)prop-2-enoate.
What is the SMILES notation for (2-oxo-2-pyrrolidin-1-ylethyl) (E)-3-(3-fluorophenyl)prop-2-enoate?
The canonical SMILES for (2-oxo-2-pyrrolidin-1-ylethyl) (E)-3-(3-fluorophenyl)prop-2-enoate is O=C(/C=C/c1cccc(F)c1)OCC(=O)N1CCCC1.
What is the InChIKey of (2-oxo-2-pyrrolidin-1-ylethyl) (E)-3-(3-fluorophenyl)prop-2-enoate?
The InChIKey is NROSDSHPFSDCGN-VOTSOKGWSA-N. The full InChI is InChI=1S/C15H16FNO3/c16-13-5-3-4-12(10-13)6-7-15(19)20-11-14(18)17-8-1-2-9-17/h3-7,10H,1-2,8-9,11H2/b7-6+.
What are the key properties of (2-oxo-2-pyrrolidin-1-ylethyl) (E)-3-(3-fluorophenyl)prop-2-enoate?
(2-oxo-2-pyrrolidin-1-ylethyl) (E)-3-(3-fluorophenyl)prop-2-enoate has a molecular weight of 277.30 g/mol, XLogP of 2.00, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2-oxo-2-pyrrolidin-1-ylethyl) (E)-3-(3-fluorophenyl)prop-2-enoate is sourced from PubChem (CID 2376847), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).