3-(cyclohexen-1-yl)-1,4-dimethylpyrrole-2,5-dione

C12H15NO2 — CID 70597103

IUPAC3-(cyclohexen-1-yl)-1,4-dimethylpyrrole-2,5-dione
SMILESCC1=C(C2=CCCCC2)C(=O)N(C)C1=O
InChIInChI=1S/C12H15NO2/c1-8-10(9-6-4-3-5-7-9)12(15)13(2)11(8)14/h6H,3-5,7H2,1-2H3
InChIKeyDUNACXUOOKYFAH-UHFFFAOYSA-N
MW205.26 g/mol
LogP1.80
Rot. Bonds1

About 3-(cyclohexen-1-yl)-1,4-dimethylpyrrole-2,5-dione

3-(cyclohexen-1-yl)-1,4-dimethylpyrrole-2,5-dione (PubChem CID 70597103) has the molecular formula C12H15NO2 and a molecular weight of 205.26 g/mol. Its IUPAC name is 3-(cyclohexen-1-yl)-1,4-dimethylpyrrole-2,5-dione.

Molecular Properties

Compound Name3-(cyclohexen-1-yl)-1,4-dimethylpyrrole-2,5-dione
PubChem CID70597103
Molecular FormulaC12H15NO2
Molecular Weight205.26 g/mol
Exact Mass205.11
IUPAC Name3-(cyclohexen-1-yl)-1,4-dimethylpyrrole-2,5-dione
SMILESCC1=C(C2=CCCCC2)C(=O)N(C)C1=O
InChIInChI=1S/C12H15NO2/c1-8-10(9-6-4-3-5-7-9)12(15)13(2)11(8)14/h6H,3-5,7H2,1-2H3
InChIKeyDUNACXUOOKYFAH-UHFFFAOYSA-N
XLogP1.80
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.26
LogP ≤ 51.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 3-(cyclohexen-1-yl)-1,4-dimethylpyrrole-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 3-(cyclohexen-1-yl)-1,4-dimethylpyrrole-2,5-dione?
The IUPAC name of 3-(cyclohexen-1-yl)-1,4-dimethylpyrrole-2,5-dione (CID 70597103) is 3-(cyclohexen-1-yl)-1,4-dimethylpyrrole-2,5-dione.
What is the SMILES notation for 3-(cyclohexen-1-yl)-1,4-dimethylpyrrole-2,5-dione?
The canonical SMILES for 3-(cyclohexen-1-yl)-1,4-dimethylpyrrole-2,5-dione is CC1=C(C2=CCCCC2)C(=O)N(C)C1=O.
What is the InChIKey of 3-(cyclohexen-1-yl)-1,4-dimethylpyrrole-2,5-dione?
The InChIKey is DUNACXUOOKYFAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15NO2/c1-8-10(9-6-4-3-5-7-9)12(15)13(2)11(8)14/h6H,3-5,7H2,1-2H3.
What are the key properties of 3-(cyclohexen-1-yl)-1,4-dimethylpyrrole-2,5-dione?
3-(cyclohexen-1-yl)-1,4-dimethylpyrrole-2,5-dione has a molecular weight of 205.26 g/mol, XLogP of 1.80, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(cyclohexen-1-yl)-1,4-dimethylpyrrole-2,5-dione is sourced from PubChem (CID 70597103), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).