1-(8-methylnonyl)pyrrole-2,5-dione

C14H23NO2 — CID 70834474

IUPAC1-(8-methylnonyl)pyrrole-2,5-dione
SMILESCC(C)CCCCCCCN1C(=O)C=CC1=O
InChIInChI=1S/C14H23NO2/c1-12(2)8-6-4-3-5-7-11-15-13(16)9-10-14(15)17/h9-10,12H,3-8,11H2,1-2H3
InChIKeyXXPHDHMHWBSENH-UHFFFAOYSA-N
MW237.34 g/mol
LogP2.91
Rot. Bonds8

About 1-(8-methylnonyl)pyrrole-2,5-dione

1-(8-methylnonyl)pyrrole-2,5-dione (PubChem CID 70834474) has the molecular formula C14H23NO2 and a molecular weight of 237.34 g/mol. Its IUPAC name is 1-(8-methylnonyl)pyrrole-2,5-dione.

Molecular Properties

Compound Name1-(8-methylnonyl)pyrrole-2,5-dione
PubChem CID70834474
Molecular FormulaC14H23NO2
Molecular Weight237.34 g/mol
Exact Mass237.17
IUPAC Name1-(8-methylnonyl)pyrrole-2,5-dione
SMILESCC(C)CCCCCCCN1C(=O)C=CC1=O
InChIInChI=1S/C14H23NO2/c1-12(2)8-6-4-3-5-7-11-15-13(16)9-10-14(15)17/h9-10,12H,3-8,11H2,1-2H3
InChIKeyXXPHDHMHWBSENH-UHFFFAOYSA-N
XLogP2.91
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.34
LogP ≤ 52.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 1-(8-methylnonyl)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-(8-methylnonyl)pyrrole-2,5-dione?
The IUPAC name of 1-(8-methylnonyl)pyrrole-2,5-dione (CID 70834474) is 1-(8-methylnonyl)pyrrole-2,5-dione.
What is the SMILES notation for 1-(8-methylnonyl)pyrrole-2,5-dione?
The canonical SMILES for 1-(8-methylnonyl)pyrrole-2,5-dione is CC(C)CCCCCCCN1C(=O)C=CC1=O.
What is the InChIKey of 1-(8-methylnonyl)pyrrole-2,5-dione?
The InChIKey is XXPHDHMHWBSENH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23NO2/c1-12(2)8-6-4-3-5-7-11-15-13(16)9-10-14(15)17/h9-10,12H,3-8,11H2,1-2H3.
What are the key properties of 1-(8-methylnonyl)pyrrole-2,5-dione?
1-(8-methylnonyl)pyrrole-2,5-dione has a molecular weight of 237.34 g/mol, XLogP of 2.91, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(8-methylnonyl)pyrrole-2,5-dione is sourced from PubChem (CID 70834474), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).