1-[(1S,2S,3S)-2,3-dimethylcyclopentyl]pyrrole-2,5-dione

C11H15NO2 — CID 66882607

IUPAC1-[(1S,2S,3S)-2,3-dimethylcyclopentyl]pyrrole-2,5-dione
SMILESC[C@H]1[C@@H](C)CC[C@@H]1N1C(=O)C=CC1=O
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/t7-,8-,9-/m0/s1
InChIKeyAIWKSXNKWWKNEH-CIUDSAMLSA-N
MW193.25 g/mol
LogP1.35
Rot. Bonds1

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

1-[(1S,2S,3S)-2,3-dimethylcyclopentyl]pyrrole-2,5-dione (PubChem CID 66882607) has the molecular formula C11H15NO2 and a molecular weight of 193.25 g/mol. Its IUPAC name is 1-[(1S,2S,3S)-2,3-dimethylcyclopentyl]pyrrole-2,5-dione.

Molecular Properties

Compound Name1-[(1S,2S,3S)-2,3-dimethylcyclopentyl]pyrrole-2,5-dione
PubChem CID66882607
Molecular FormulaC11H15NO2
Molecular Weight193.25 g/mol
Exact Mass193.11
IUPAC Name1-[(1S,2S,3S)-2,3-dimethylcyclopentyl]pyrrole-2,5-dione
SMILESC[C@H]1[C@@H](C)CC[C@@H]1N1C(=O)C=CC1=O
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/t7-,8-,9-/m0/s1
InChIKeyAIWKSXNKWWKNEH-CIUDSAMLSA-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'}

Analyze 1-[(1S,2S,3S)-2,3-dimethylcyclopentyl]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-[(1S,2S,3S)-2,3-dimethylcyclopentyl]pyrrole-2,5-dione?
The IUPAC name of 1-[(1S,2S,3S)-2,3-dimethylcyclopentyl]pyrrole-2,5-dione (CID 66882607) is 1-[(1S,2S,3S)-2,3-dimethylcyclopentyl]pyrrole-2,5-dione.
What is the SMILES notation for 1-[(1S,2S,3S)-2,3-dimethylcyclopentyl]pyrrole-2,5-dione?
The canonical SMILES for 1-[(1S,2S,3S)-2,3-dimethylcyclopentyl]pyrrole-2,5-dione is C[C@H]1[C@@H](C)CC[C@@H]1N1C(=O)C=CC1=O.
What is the InChIKey of 1-[(1S,2S,3S)-2,3-dimethylcyclopentyl]pyrrole-2,5-dione?
The InChIKey is AIWKSXNKWWKNEH-CIUDSAMLSA-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/t7-,8-,9-/m0/s1.
What are the key properties of 1-[(1S,2S,3S)-2,3-dimethylcyclopentyl]pyrrole-2,5-dione?
1-[(1S,2S,3S)-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-[(1S,2S,3S)-2,3-dimethylcyclopentyl]pyrrole-2,5-dione is sourced from PubChem (CID 66882607), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).