1-[[4-(2-methylpropanoyl)cyclohexyl]methyl]pyrrole-2,5-dione

C15H21NO3 — CID 59309364

IUPAC1-[[4-(2-methylpropanoyl)cyclohexyl]methyl]pyrrole-2,5-dione
SMILESCC(C)C(=O)C1CCC(CN2C(=O)C=CC2=O)CC1
InChIInChI=1S/C15H21NO3/c1-10(2)15(19)12-5-3-11(4-6-12)9-16-13(17)7-8-14(16)18/h7-8,10-12H,3-6,9H2,1-2H3
InChIKeyJAMBCJMNBNGYQI-UHFFFAOYSA-N
MW263.34 g/mol
LogP1.94
Rot. Bonds4

About 1-[[4-(2-methylpropanoyl)cyclohexyl]methyl]pyrrole-2,5-dione

1-[[4-(2-methylpropanoyl)cyclohexyl]methyl]pyrrole-2,5-dione (PubChem CID 59309364) has the molecular formula C15H21NO3 and a molecular weight of 263.34 g/mol. Its IUPAC name is 1-[[4-(2-methylpropanoyl)cyclohexyl]methyl]pyrrole-2,5-dione.

Molecular Properties

Compound Name1-[[4-(2-methylpropanoyl)cyclohexyl]methyl]pyrrole-2,5-dione
PubChem CID59309364
Molecular FormulaC15H21NO3
Molecular Weight263.34 g/mol
Exact Mass263.15
IUPAC Name1-[[4-(2-methylpropanoyl)cyclohexyl]methyl]pyrrole-2,5-dione
SMILESCC(C)C(=O)C1CCC(CN2C(=O)C=CC2=O)CC1
InChIInChI=1S/C15H21NO3/c1-10(2)15(19)12-5-3-11(4-6-12)9-16-13(17)7-8-14(16)18/h7-8,10-12H,3-6,9H2,1-2H3
InChIKeyJAMBCJMNBNGYQI-UHFFFAOYSA-N
XLogP1.94
TPSA54.45 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.34
LogP ≤ 51.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 1-[[4-(2-methylpropanoyl)cyclohexyl]methyl]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-[[4-(2-methylpropanoyl)cyclohexyl]methyl]pyrrole-2,5-dione?
The IUPAC name of 1-[[4-(2-methylpropanoyl)cyclohexyl]methyl]pyrrole-2,5-dione (CID 59309364) is 1-[[4-(2-methylpropanoyl)cyclohexyl]methyl]pyrrole-2,5-dione.
What is the SMILES notation for 1-[[4-(2-methylpropanoyl)cyclohexyl]methyl]pyrrole-2,5-dione?
The canonical SMILES for 1-[[4-(2-methylpropanoyl)cyclohexyl]methyl]pyrrole-2,5-dione is CC(C)C(=O)C1CCC(CN2C(=O)C=CC2=O)CC1.
What is the InChIKey of 1-[[4-(2-methylpropanoyl)cyclohexyl]methyl]pyrrole-2,5-dione?
The InChIKey is JAMBCJMNBNGYQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21NO3/c1-10(2)15(19)12-5-3-11(4-6-12)9-16-13(17)7-8-14(16)18/h7-8,10-12H,3-6,9H2,1-2H3.
What are the key properties of 1-[[4-(2-methylpropanoyl)cyclohexyl]methyl]pyrrole-2,5-dione?
1-[[4-(2-methylpropanoyl)cyclohexyl]methyl]pyrrole-2,5-dione has a molecular weight of 263.34 g/mol, XLogP of 1.94, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[4-(2-methylpropanoyl)cyclohexyl]methyl]pyrrole-2,5-dione is sourced from PubChem (CID 59309364), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).