1-(1-hydroxydodecyl)pyrrole-2,5-dione

C16H27NO3 — CID 175447701

IUPAC1-(1-hydroxydodecyl)pyrrole-2,5-dione
SMILESCCCCCCCCCCCC(O)N1C(=O)C=CC1=O
InChIInChI=1S/C16H27NO3/c1-2-3-4-5-6-7-8-9-10-11-14(18)17-15(19)12-13-16(17)20/h12-14,18H,2-11H2,1H3
InChIKeyZEMPIEAVJTYIQQ-UHFFFAOYSA-N
MW281.40 g/mol
LogP3.15
Rot. Bonds11

About 1-(1-hydroxydodecyl)pyrrole-2,5-dione

1-(1-hydroxydodecyl)pyrrole-2,5-dione (PubChem CID 175447701) has the molecular formula C16H27NO3 and a molecular weight of 281.40 g/mol. Its IUPAC name is 1-(1-hydroxydodecyl)pyrrole-2,5-dione.

Molecular Properties

Compound Name1-(1-hydroxydodecyl)pyrrole-2,5-dione
PubChem CID175447701
Molecular FormulaC16H27NO3
Molecular Weight281.40 g/mol
Exact Mass281.20
IUPAC Name1-(1-hydroxydodecyl)pyrrole-2,5-dione
SMILESCCCCCCCCCCCC(O)N1C(=O)C=CC1=O
InChIInChI=1S/C16H27NO3/c1-2-3-4-5-6-7-8-9-10-11-14(18)17-15(19)12-13-16(17)20/h12-14,18H,2-11H2,1H3
InChIKeyZEMPIEAVJTYIQQ-UHFFFAOYSA-N
XLogP3.15
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds11
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.40
LogP ≤ 53.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 1-(1-hydroxydodecyl)pyrrole-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

Frequently Asked Questions

What is the IUPAC name of 1-(1-hydroxydodecyl)pyrrole-2,5-dione?
The IUPAC name of 1-(1-hydroxydodecyl)pyrrole-2,5-dione (CID 175447701) is 1-(1-hydroxydodecyl)pyrrole-2,5-dione.
What is the SMILES notation for 1-(1-hydroxydodecyl)pyrrole-2,5-dione?
The canonical SMILES for 1-(1-hydroxydodecyl)pyrrole-2,5-dione is CCCCCCCCCCCC(O)N1C(=O)C=CC1=O.
What is the InChIKey of 1-(1-hydroxydodecyl)pyrrole-2,5-dione?
The InChIKey is ZEMPIEAVJTYIQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27NO3/c1-2-3-4-5-6-7-8-9-10-11-14(18)17-15(19)12-13-16(17)20/h12-14,18H,2-11H2,1H3.
What are the key properties of 1-(1-hydroxydodecyl)pyrrole-2,5-dione?
1-(1-hydroxydodecyl)pyrrole-2,5-dione has a molecular weight of 281.40 g/mol, XLogP of 3.15, 11 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-hydroxydodecyl)pyrrole-2,5-dione is sourced from PubChem (CID 175447701), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).