(2-oxo-2-pyrrolidin-1-ylethyl) (E)-3-phenylprop-2-enoate

C15H17NO3 — CID 2360506

IUPAC(2-oxo-2-pyrrolidin-1-ylethyl) (E)-3-phenylprop-2-enoate
SMILESO=C(/C=C/c1ccccc1)OCC(=O)N1CCCC1
InChIInChI=1S/C15H17NO3/c17-14(16-10-4-5-11-16)12-19-15(18)9-8-13-6-2-1-3-7-13/h1-3,6-9H,4-5,10-12H2/b9-8+
InChIKeyDGRVFLAKAAVUGH-CMDGGOBGSA-N
MW259.31 g/mol
LogP1.87
Rot. Bonds4

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

(2-oxo-2-pyrrolidin-1-ylethyl) (E)-3-phenylprop-2-enoate (PubChem CID 2360506) has the molecular formula C15H17NO3 and a molecular weight of 259.31 g/mol. Its IUPAC name is (2-oxo-2-pyrrolidin-1-ylethyl) (E)-3-phenylprop-2-enoate.

Molecular Properties

Compound Name(2-oxo-2-pyrrolidin-1-ylethyl) (E)-3-phenylprop-2-enoate
PubChem CID2360506
Molecular FormulaC15H17NO3
Molecular Weight259.31 g/mol
Exact Mass259.12
IUPAC Name(2-oxo-2-pyrrolidin-1-ylethyl) (E)-3-phenylprop-2-enoate
SMILESO=C(/C=C/c1ccccc1)OCC(=O)N1CCCC1
InChIInChI=1S/C15H17NO3/c17-14(16-10-4-5-11-16)12-19-15(18)9-8-13-6-2-1-3-7-13/h1-3,6-9H,4-5,10-12H2/b9-8+
InChIKeyDGRVFLAKAAVUGH-CMDGGOBGSA-N
XLogP1.87
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.31
LogP ≤ 51.87
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-phenylprop-2-enoate?
The IUPAC name of (2-oxo-2-pyrrolidin-1-ylethyl) (E)-3-phenylprop-2-enoate (CID 2360506) is (2-oxo-2-pyrrolidin-1-ylethyl) (E)-3-phenylprop-2-enoate.
What is the SMILES notation for (2-oxo-2-pyrrolidin-1-ylethyl) (E)-3-phenylprop-2-enoate?
The canonical SMILES for (2-oxo-2-pyrrolidin-1-ylethyl) (E)-3-phenylprop-2-enoate is O=C(/C=C/c1ccccc1)OCC(=O)N1CCCC1.
What is the InChIKey of (2-oxo-2-pyrrolidin-1-ylethyl) (E)-3-phenylprop-2-enoate?
The InChIKey is DGRVFLAKAAVUGH-CMDGGOBGSA-N. The full InChI is InChI=1S/C15H17NO3/c17-14(16-10-4-5-11-16)12-19-15(18)9-8-13-6-2-1-3-7-13/h1-3,6-9H,4-5,10-12H2/b9-8+.
What are the key properties of (2-oxo-2-pyrrolidin-1-ylethyl) (E)-3-phenylprop-2-enoate?
(2-oxo-2-pyrrolidin-1-ylethyl) (E)-3-phenylprop-2-enoate has a molecular weight of 259.31 g/mol, XLogP of 1.87, 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-phenylprop-2-enoate is sourced from PubChem (CID 2360506), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).