3-ethenyl-1-icos-19-enylpyrrolidin-2-one

C26H47NO — CID 18509954

IUPAC3-ethenyl-1-icos-19-enylpyrrolidin-2-one
SMILESC=CCCCCCCCCCCCCCCCCCCN1CCC(C=C)C1=O
InChIInChI=1S/C26H47NO/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-23-27-24-22-25(4-2)26(27)28/h3-4,25H,1-2,5-24H2
InChIKeyOVTWMYULFOBEJD-UHFFFAOYSA-N
MW389.67 g/mol
LogP7.84
Rot. Bonds20

About 3-ethenyl-1-icos-19-enylpyrrolidin-2-one

3-ethenyl-1-icos-19-enylpyrrolidin-2-one (PubChem CID 18509954) has the molecular formula C26H47NO and a molecular weight of 389.67 g/mol. Its IUPAC name is 3-ethenyl-1-icos-19-enylpyrrolidin-2-one.

Molecular Properties

Compound Name3-ethenyl-1-icos-19-enylpyrrolidin-2-one
PubChem CID18509954
Molecular FormulaC26H47NO
Molecular Weight389.67 g/mol
Exact Mass389.37
IUPAC Name3-ethenyl-1-icos-19-enylpyrrolidin-2-one
SMILESC=CCCCCCCCCCCCCCCCCCCN1CCC(C=C)C1=O
InChIInChI=1S/C26H47NO/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-23-27-24-22-25(4-2)26(27)28/h3-4,25H,1-2,5-24H2
InChIKeyOVTWMYULFOBEJD-UHFFFAOYSA-N
XLogP7.84
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds20
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500389.67
LogP ≤ 57.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 3-ethenyl-1-icos-19-enylpyrrolidin-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-ethenyl-1-icos-19-enylpyrrolidin-2-one?
The IUPAC name of 3-ethenyl-1-icos-19-enylpyrrolidin-2-one (CID 18509954) is 3-ethenyl-1-icos-19-enylpyrrolidin-2-one.
What is the SMILES notation for 3-ethenyl-1-icos-19-enylpyrrolidin-2-one?
The canonical SMILES for 3-ethenyl-1-icos-19-enylpyrrolidin-2-one is C=CCCCCCCCCCCCCCCCCCCN1CCC(C=C)C1=O.
What is the InChIKey of 3-ethenyl-1-icos-19-enylpyrrolidin-2-one?
The InChIKey is OVTWMYULFOBEJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H47NO/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-23-27-24-22-25(4-2)26(27)28/h3-4,25H,1-2,5-24H2.
What are the key properties of 3-ethenyl-1-icos-19-enylpyrrolidin-2-one?
3-ethenyl-1-icos-19-enylpyrrolidin-2-one has a molecular weight of 389.67 g/mol, XLogP of 7.84, 20 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethenyl-1-icos-19-enylpyrrolidin-2-one is sourced from PubChem (CID 18509954), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).