5-oxo-N-[(E)-4-phenylbut-3-enyl]pyrrolidine-2-carboxamide

C15H18N2O2 — CID 110667574

IUPAC5-oxo-N-[(E)-4-phenylbut-3-enyl]pyrrolidine-2-carboxamide
SMILESO=C1CCC(C(=O)NCC/C=C/c2ccccc2)N1
InChIInChI=1S/C15H18N2O2/c18-14-10-9-13(17-14)15(19)16-11-5-4-8-12-6-2-1-3-7-12/h1-4,6-8,13H,5,9-11H2,(H,16,19)(H,17,18)/b8-4+
InChIKeyGYCJPKMVLOGWAE-XBXARRHUSA-N
MW258.32 g/mol
LogP1.48
Rot. Bonds5

About 5-oxo-N-[(E)-4-phenylbut-3-enyl]pyrrolidine-2-carboxamide

5-oxo-N-[(E)-4-phenylbut-3-enyl]pyrrolidine-2-carboxamide (PubChem CID 110667574) has the molecular formula C15H18N2O2 and a molecular weight of 258.32 g/mol. Its IUPAC name is 5-oxo-N-[(E)-4-phenylbut-3-enyl]pyrrolidine-2-carboxamide.

Molecular Properties

Compound Name5-oxo-N-[(E)-4-phenylbut-3-enyl]pyrrolidine-2-carboxamide
PubChem CID110667574
Molecular FormulaC15H18N2O2
Molecular Weight258.32 g/mol
Exact Mass258.14
IUPAC Name5-oxo-N-[(E)-4-phenylbut-3-enyl]pyrrolidine-2-carboxamide
SMILESO=C1CCC(C(=O)NCC/C=C/c2ccccc2)N1
InChIInChI=1S/C15H18N2O2/c18-14-10-9-13(17-14)15(19)16-11-5-4-8-12-6-2-1-3-7-12/h1-4,6-8,13H,5,9-11H2,(H,16,19)(H,17,18)/b8-4+
InChIKeyGYCJPKMVLOGWAE-XBXARRHUSA-N
XLogP1.48
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.32
LogP ≤ 51.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-oxo-N-[(E)-4-phenylbut-3-enyl]pyrrolidine-2-carboxamide?
The IUPAC name of 5-oxo-N-[(E)-4-phenylbut-3-enyl]pyrrolidine-2-carboxamide (CID 110667574) is 5-oxo-N-[(E)-4-phenylbut-3-enyl]pyrrolidine-2-carboxamide.
What is the SMILES notation for 5-oxo-N-[(E)-4-phenylbut-3-enyl]pyrrolidine-2-carboxamide?
The canonical SMILES for 5-oxo-N-[(E)-4-phenylbut-3-enyl]pyrrolidine-2-carboxamide is O=C1CCC(C(=O)NCC/C=C/c2ccccc2)N1.
What is the InChIKey of 5-oxo-N-[(E)-4-phenylbut-3-enyl]pyrrolidine-2-carboxamide?
The InChIKey is GYCJPKMVLOGWAE-XBXARRHUSA-N. The full InChI is InChI=1S/C15H18N2O2/c18-14-10-9-13(17-14)15(19)16-11-5-4-8-12-6-2-1-3-7-12/h1-4,6-8,13H,5,9-11H2,(H,16,19)(H,17,18)/b8-4+.
What are the key properties of 5-oxo-N-[(E)-4-phenylbut-3-enyl]pyrrolidine-2-carboxamide?
5-oxo-N-[(E)-4-phenylbut-3-enyl]pyrrolidine-2-carboxamide has a molecular weight of 258.32 g/mol, XLogP of 1.48, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-oxo-N-[(E)-4-phenylbut-3-enyl]pyrrolidine-2-carboxamide is sourced from PubChem (CID 110667574), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).