3-Pentadecylpyrrole-2,5-dione

C19H33NO2 — CID 15598201

IUPAC3-pentadecylpyrrole-2,5-dione
SMILESCCCCCCCCCCCCCCCC1=CC(=O)NC1=O
InChIInChI=1S/C19H33NO2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-17-16-18(21)20-19(17)22/h16H,2-15H2,1H3,(H,20,21,22)
InChIKeyGVZAFEZGCYWCNM-UHFFFAOYSA-N
MW307.50 g/mol
LogP7.10
Rot. Bonds14

About 3-Pentadecylpyrrole-2,5-dione

3-Pentadecylpyrrole-2,5-dione (PubChem CID 15598201) has the molecular formula C19H33NO2 and a molecular weight of 307.50 g/mol. Its IUPAC name is 3-pentadecylpyrrole-2,5-dione.

Molecular Properties

Compound Name3-Pentadecylpyrrole-2,5-dione
PubChem CID15598201
Molecular FormulaC19H33NO2
Molecular Weight307.50 g/mol
Exact Mass307.25
IUPAC Name3-pentadecylpyrrole-2,5-dione
SMILESCCCCCCCCCCCCCCCC1=CC(=O)NC1=O
InChIInChI=1S/C19H33NO2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-17-16-18(21)20-19(17)22/h16H,2-15H2,1H3,(H,20,21,22)
InChIKeyGVZAFEZGCYWCNM-UHFFFAOYSA-N
XLogP7.10
TPSA46.20 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds14
Heavy Atoms22
Complexity360

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500307.50
LogP ≤ 57.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 3-Pentadecylpyrrole-2,5-dione with MolForge

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

Launch Full Analysis

Related Compounds

N-tert-butylcyclopentene-1-carboxamide
CID 15647929
3-Octadecylpyrrole-2,5-dione
CID 19810759
Cyclohexylmaleimide
CID 19810763
Butylmaleimide
CID 21880474
Propyl maleimide
CID 21880478
Octylmaleimide
CID 21880496
Hexylmaleimide
CID 21880509
Hexamethylene-bis-maleimide
CID 22989081
3-Icosa-5,8,11,14-tetraenoylpyrrole-2,5-dione
CID 90812510
3-Dodecyl-1-octadec-9-enoylpyrrole-2,5-dione
CID 105580
2,5-Pyrrolidinedione, 3-(dodecen-1-yl)-1-[(9Z)-1-oxo-9-octadecen-1-yl]-
CID 6437122
3-(4,4,5,5,6,6,7,7,8,8,9,9,9-Tridecafluorononyl)pyrrole-2,5-dione
CID 87178123

Frequently Asked Questions

What is the IUPAC name of 3-Pentadecylpyrrole-2,5-dione?
The IUPAC name of 3-Pentadecylpyrrole-2,5-dione (CID 15598201) is 3-pentadecylpyrrole-2,5-dione.
What is the SMILES notation for 3-Pentadecylpyrrole-2,5-dione?
The canonical SMILES for 3-Pentadecylpyrrole-2,5-dione is CCCCCCCCCCCCCCCC1=CC(=O)NC1=O.
What is the InChIKey of 3-Pentadecylpyrrole-2,5-dione?
The InChIKey is GVZAFEZGCYWCNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H33NO2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-17-16-18(21)20-19(17)22/h16H,2-15H2,1H3,(H,20,21,22).
What are the key properties of 3-Pentadecylpyrrole-2,5-dione?
3-Pentadecylpyrrole-2,5-dione has a molecular weight of 307.50 g/mol, XLogP of 7.10, 14 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-Pentadecylpyrrole-2,5-dione is sourced from PubChem (CID 15598201), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).