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

C11H15NO2 — CID 79870484

IUPAC1-(2,2-dimethylcyclopentyl)pyrrole-2,5-dione
SMILESCC1(C)CCCC1N1C(=O)C=CC1=O
InChIInChI=1S/C11H15NO2/c1-11(2)7-3-4-8(11)12-9(13)5-6-10(12)14/h5-6,8H,3-4,7H2,1-2H3
InChIKeyGXIMSAGFAWLLJD-UHFFFAOYSA-N
MW193.25 g/mol
LogP1.49
Rot. Bonds1

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

1-(2,2-dimethylcyclopentyl)pyrrole-2,5-dione (PubChem CID 79870484) has the molecular formula C11H15NO2 and a molecular weight of 193.25 g/mol. Its IUPAC name is 1-(2,2-dimethylcyclopentyl)pyrrole-2,5-dione.

Molecular Properties

Compound Name1-(2,2-dimethylcyclopentyl)pyrrole-2,5-dione
PubChem CID79870484
Molecular FormulaC11H15NO2
Molecular Weight193.25 g/mol
Exact Mass193.11
IUPAC Name1-(2,2-dimethylcyclopentyl)pyrrole-2,5-dione
SMILESCC1(C)CCCC1N1C(=O)C=CC1=O
InChIInChI=1S/C11H15NO2/c1-11(2)7-3-4-8(11)12-9(13)5-6-10(12)14/h5-6,8H,3-4,7H2,1-2H3
InChIKeyGXIMSAGFAWLLJD-UHFFFAOYSA-N
XLogP1.49
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 ≤ 51.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-(2,2-dimethylcyclopentyl)pyrrole-2,5-dione?
The IUPAC name of 1-(2,2-dimethylcyclopentyl)pyrrole-2,5-dione (CID 79870484) is 1-(2,2-dimethylcyclopentyl)pyrrole-2,5-dione.
What is the SMILES notation for 1-(2,2-dimethylcyclopentyl)pyrrole-2,5-dione?
The canonical SMILES for 1-(2,2-dimethylcyclopentyl)pyrrole-2,5-dione is CC1(C)CCCC1N1C(=O)C=CC1=O.
What is the InChIKey of 1-(2,2-dimethylcyclopentyl)pyrrole-2,5-dione?
The InChIKey is GXIMSAGFAWLLJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15NO2/c1-11(2)7-3-4-8(11)12-9(13)5-6-10(12)14/h5-6,8H,3-4,7H2,1-2H3.
What are the key properties of 1-(2,2-dimethylcyclopentyl)pyrrole-2,5-dione?
1-(2,2-dimethylcyclopentyl)pyrrole-2,5-dione has a molecular weight of 193.25 g/mol, XLogP of 1.49, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,2-dimethylcyclopentyl)pyrrole-2,5-dione is sourced from PubChem (CID 79870484), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).