1-pent-4-enoyl-3-[(E)-2-phenylethenyl]pyrrolidin-2-one

C17H19NO2 — CID 101054479

IUPAC1-pent-4-enoyl-3-[(E)-2-phenylethenyl]pyrrolidin-2-one
SMILESC=CCCC(=O)N1CCC(/C=C/c2ccccc2)C1=O
InChIInChI=1S/C17H19NO2/c1-2-3-9-16(19)18-13-12-15(17(18)20)11-10-14-7-5-4-6-8-14/h2,4-8,10-11,15H,1,3,9,12-13H2/b11-10+
InChIKeyAGCSVJZWMYFNOZ-ZHACJKMWSA-N
MW269.34 g/mol
LogP3.04
Rot. Bonds5

About 1-pent-4-enoyl-3-[(E)-2-phenylethenyl]pyrrolidin-2-one

1-pent-4-enoyl-3-[(E)-2-phenylethenyl]pyrrolidin-2-one (PubChem CID 101054479) has the molecular formula C17H19NO2 and a molecular weight of 269.34 g/mol. Its IUPAC name is 1-pent-4-enoyl-3-[(E)-2-phenylethenyl]pyrrolidin-2-one.

Molecular Properties

Compound Name1-pent-4-enoyl-3-[(E)-2-phenylethenyl]pyrrolidin-2-one
PubChem CID101054479
Molecular FormulaC17H19NO2
Molecular Weight269.34 g/mol
Exact Mass269.14
IUPAC Name1-pent-4-enoyl-3-[(E)-2-phenylethenyl]pyrrolidin-2-one
SMILESC=CCCC(=O)N1CCC(/C=C/c2ccccc2)C1=O
InChIInChI=1S/C17H19NO2/c1-2-3-9-16(19)18-13-12-15(17(18)20)11-10-14-7-5-4-6-8-14/h2,4-8,10-11,15H,1,3,9,12-13H2/b11-10+
InChIKeyAGCSVJZWMYFNOZ-ZHACJKMWSA-N
XLogP3.04
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.34
LogP ≤ 53.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-pent-4-enoyl-3-[(E)-2-phenylethenyl]pyrrolidin-2-one?
The IUPAC name of 1-pent-4-enoyl-3-[(E)-2-phenylethenyl]pyrrolidin-2-one (CID 101054479) is 1-pent-4-enoyl-3-[(E)-2-phenylethenyl]pyrrolidin-2-one.
What is the SMILES notation for 1-pent-4-enoyl-3-[(E)-2-phenylethenyl]pyrrolidin-2-one?
The canonical SMILES for 1-pent-4-enoyl-3-[(E)-2-phenylethenyl]pyrrolidin-2-one is C=CCCC(=O)N1CCC(/C=C/c2ccccc2)C1=O.
What is the InChIKey of 1-pent-4-enoyl-3-[(E)-2-phenylethenyl]pyrrolidin-2-one?
The InChIKey is AGCSVJZWMYFNOZ-ZHACJKMWSA-N. The full InChI is InChI=1S/C17H19NO2/c1-2-3-9-16(19)18-13-12-15(17(18)20)11-10-14-7-5-4-6-8-14/h2,4-8,10-11,15H,1,3,9,12-13H2/b11-10+.
What are the key properties of 1-pent-4-enoyl-3-[(E)-2-phenylethenyl]pyrrolidin-2-one?
1-pent-4-enoyl-3-[(E)-2-phenylethenyl]pyrrolidin-2-one has a molecular weight of 269.34 g/mol, XLogP of 3.04, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-pent-4-enoyl-3-[(E)-2-phenylethenyl]pyrrolidin-2-one is sourced from PubChem (CID 101054479), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).