1-(2,3-dimethylcyclopentyl)pyrrole-2,5-dione

C11H15NO2 — CID 18439126

IUPAC1-(2,3-dimethylcyclopentyl)pyrrole-2,5-dione
SMILESCC1CCC(N2C(=O)C=CC2=O)C1C
InChIInChI=1S/C11H15NO2/c1-7-3-4-9(8(7)2)12-10(13)5-6-11(12)14/h5-9H,3-4H2,1-2H3
InChIKeyAIWKSXNKWWKNEH-UHFFFAOYSA-N
MW193.25 g/mol
LogP1.35
Rot. Bonds1

About 1-(2,3-dimethylcyclopentyl)pyrrole-2,5-dione

1-(2,3-dimethylcyclopentyl)pyrrole-2,5-dione (PubChem CID 18439126) has the molecular formula C11H15NO2 and a molecular weight of 193.25 g/mol. Its IUPAC name is 1-(2,3-dimethylcyclopentyl)pyrrole-2,5-dione.

Molecular Properties

Compound Name1-(2,3-dimethylcyclopentyl)pyrrole-2,5-dione
PubChem CID18439126
Molecular FormulaC11H15NO2
Molecular Weight193.25 g/mol
Exact Mass193.11
IUPAC Name1-(2,3-dimethylcyclopentyl)pyrrole-2,5-dione
SMILESCC1CCC(N2C(=O)C=CC2=O)C1C
InChIInChI=1S/C11H15NO2/c1-7-3-4-9(8(7)2)12-10(13)5-6-11(12)14/h5-9H,3-4H2,1-2H3
InChIKeyAIWKSXNKWWKNEH-UHFFFAOYSA-N
XLogP1.35
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.25
LogP ≤ 51.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-(2-Acetylcyclopentyl)pyrrole-2,5-dione
CID 18439055
1-(2-Ethylcyclopentyl)pyrrole-2,5-dione
CID 18439063
1-(2-Methylcyclopentyl)pyrrole-2,5-dione
CID 18439076
1-(2-Tert-butylcyclopentyl)pyrrole-2,5-dione
CID 18439118
1-(2,3-Diethylcyclopentyl)pyrrole-2,5-dione
CID 18439120
1-(2,3-Dibutylcyclopentyl)pyrrole-2,5-dione
CID 18439128
1-(2,3-Dipropylcyclopentyl)pyrrole-2,5-dione
CID 18439130
1-(2,3-Ditert-butylcyclopentyl)pyrrole-2,5-dione
CID 18439132
1-(2,3,4-Triethylcyclopentyl)pyrrole-2,5-dione
CID 18439134
1-(2,3,4-Trimethylcyclopentyl)pyrrole-2,5-dione
CID 18439140
1-(2,3,4-Tributylcyclopentyl)pyrrole-2,5-dione
CID 18439142
1-(2,3,4-Tripropylcyclopentyl)pyrrole-2,5-dione
CID 18439144

Frequently Asked Questions

What is the IUPAC name of 1-(2,3-dimethylcyclopentyl)pyrrole-2,5-dione?
The IUPAC name of 1-(2,3-dimethylcyclopentyl)pyrrole-2,5-dione (CID 18439126) is 1-(2,3-dimethylcyclopentyl)pyrrole-2,5-dione.
What is the SMILES notation for 1-(2,3-dimethylcyclopentyl)pyrrole-2,5-dione?
The canonical SMILES for 1-(2,3-dimethylcyclopentyl)pyrrole-2,5-dione is CC1CCC(N2C(=O)C=CC2=O)C1C.
What is the InChIKey of 1-(2,3-dimethylcyclopentyl)pyrrole-2,5-dione?
The InChIKey is AIWKSXNKWWKNEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15NO2/c1-7-3-4-9(8(7)2)12-10(13)5-6-11(12)14/h5-9H,3-4H2,1-2H3.
What are the key properties of 1-(2,3-dimethylcyclopentyl)pyrrole-2,5-dione?
1-(2,3-dimethylcyclopentyl)pyrrole-2,5-dione has a molecular weight of 193.25 g/mol, XLogP of 1.35, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,3-dimethylcyclopentyl)pyrrole-2,5-dione is sourced from PubChem (CID 18439126), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).