1-[(E)-3-(4-methoxyphenyl)prop-2-enoyl]pyrrolidin-2-one

C14H15NO3 — CID 15165557

IUPAC1-[(E)-3-(4-methoxyphenyl)prop-2-enoyl]pyrrolidin-2-one
SMILESCOc1ccc(/C=C/C(=O)N2CCCC2=O)cc1
InChIInChI=1S/C14H15NO3/c1-18-12-7-4-11(5-8-12)6-9-14(17)15-10-2-3-13(15)16/h4-9H,2-3,10H2,1H3/b9-6+
InChIKeyZOZBLVYNAYBARF-RMKNXTFCSA-N
MW245.28 g/mol
LogP1.86
Rot. Bonds3

About 1-[(E)-3-(4-methoxyphenyl)prop-2-enoyl]pyrrolidin-2-one

1-[(E)-3-(4-methoxyphenyl)prop-2-enoyl]pyrrolidin-2-one (PubChem CID 15165557) has the molecular formula C14H15NO3 and a molecular weight of 245.28 g/mol. Its IUPAC name is 1-[(E)-3-(4-methoxyphenyl)prop-2-enoyl]pyrrolidin-2-one.

Molecular Properties

Compound Name1-[(E)-3-(4-methoxyphenyl)prop-2-enoyl]pyrrolidin-2-one
PubChem CID15165557
Molecular FormulaC14H15NO3
Molecular Weight245.28 g/mol
Exact Mass245.11
IUPAC Name1-[(E)-3-(4-methoxyphenyl)prop-2-enoyl]pyrrolidin-2-one
SMILESCOc1ccc(/C=C/C(=O)N2CCCC2=O)cc1
InChIInChI=1S/C14H15NO3/c1-18-12-7-4-11(5-8-12)6-9-14(17)15-10-2-3-13(15)16/h4-9H,2-3,10H2,1H3/b9-6+
InChIKeyZOZBLVYNAYBARF-RMKNXTFCSA-N
XLogP1.86
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.28
LogP ≤ 51.86
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 1-[(E)-3-(4-methoxyphenyl)prop-2-enoyl]pyrrolidin-2-one?
The IUPAC name of 1-[(E)-3-(4-methoxyphenyl)prop-2-enoyl]pyrrolidin-2-one (CID 15165557) is 1-[(E)-3-(4-methoxyphenyl)prop-2-enoyl]pyrrolidin-2-one.
What is the SMILES notation for 1-[(E)-3-(4-methoxyphenyl)prop-2-enoyl]pyrrolidin-2-one?
The canonical SMILES for 1-[(E)-3-(4-methoxyphenyl)prop-2-enoyl]pyrrolidin-2-one is COc1ccc(/C=C/C(=O)N2CCCC2=O)cc1.
What is the InChIKey of 1-[(E)-3-(4-methoxyphenyl)prop-2-enoyl]pyrrolidin-2-one?
The InChIKey is ZOZBLVYNAYBARF-RMKNXTFCSA-N. The full InChI is InChI=1S/C14H15NO3/c1-18-12-7-4-11(5-8-12)6-9-14(17)15-10-2-3-13(15)16/h4-9H,2-3,10H2,1H3/b9-6+.
What are the key properties of 1-[(E)-3-(4-methoxyphenyl)prop-2-enoyl]pyrrolidin-2-one?
1-[(E)-3-(4-methoxyphenyl)prop-2-enoyl]pyrrolidin-2-one has a molecular weight of 245.28 g/mol, XLogP of 1.86, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(E)-3-(4-methoxyphenyl)prop-2-enoyl]pyrrolidin-2-one is sourced from PubChem (CID 15165557), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).