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

C11H13NO3 — CID 66880832

IUPAC1-[(1S,2S)-2-acetylcyclopentyl]pyrrole-2,5-dione
SMILESCC(=O)[C@H]1CCC[C@@H]1N1C(=O)C=CC1=O
InChIInChI=1S/C11H13NO3/c1-7(13)8-3-2-4-9(8)12-10(14)5-6-11(12)15/h5-6,8-9H,2-4H2,1H3/t8-,9+/m1/s1
InChIKeyHGLZTBJXQWTNGZ-BDAKNGLRSA-N
MW207.23 g/mol
LogP0.67
Rot. Bonds2

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

1-[(1S,2S)-2-acetylcyclopentyl]pyrrole-2,5-dione (PubChem CID 66880832) has the molecular formula C11H13NO3 and a molecular weight of 207.23 g/mol. Its IUPAC name is 1-[(1S,2S)-2-acetylcyclopentyl]pyrrole-2,5-dione.

Molecular Properties

Compound Name1-[(1S,2S)-2-acetylcyclopentyl]pyrrole-2,5-dione
PubChem CID66880832
Molecular FormulaC11H13NO3
Molecular Weight207.23 g/mol
Exact Mass207.09
IUPAC Name1-[(1S,2S)-2-acetylcyclopentyl]pyrrole-2,5-dione
SMILESCC(=O)[C@H]1CCC[C@@H]1N1C(=O)C=CC1=O
InChIInChI=1S/C11H13NO3/c1-7(13)8-3-2-4-9(8)12-10(14)5-6-11(12)15/h5-6,8-9H,2-4H2,1H3/t8-,9+/m1/s1
InChIKeyHGLZTBJXQWTNGZ-BDAKNGLRSA-N
XLogP0.67
TPSA54.45 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.23
LogP ≤ 50.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 1-[(1S,2S)-2-acetylcyclopentyl]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

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-(2,2-Dimethylpropanoyl)cyclopentyl]pyrrole-2,5-dione
CID 18439112
1-(2-Propanoylcyclopentyl)pyrrole-2,5-dione
CID 18439114
1-(2,3-Dimethylcyclopentyl)pyrrole-2,5-dione
CID 18439126
1-(2-Propylcyclopentyl)pyrrole-2,5-dione
CID 23033270
1-(2-Butanoylcyclopentyl)pyrrole-2,5-dione
CID 23033340
1-(2-Butylcyclopentyl)pyrrole-2,5-dione
CID 23033378
1-[(1S,2S)-2-ethylcyclopentyl]pyrrole-2,5-dione
CID 66880144
1-[(1S,2S)-2-pentylcyclopentyl]pyrrole-2,5-dione
CID 66880157
1-[(1S,2S)-2,3-dimethylcyclopentyl]pyrrole-2,5-dione
CID 66880384

Frequently Asked Questions

What is the IUPAC name of 1-[(1S,2S)-2-acetylcyclopentyl]pyrrole-2,5-dione?
The IUPAC name of 1-[(1S,2S)-2-acetylcyclopentyl]pyrrole-2,5-dione (CID 66880832) is 1-[(1S,2S)-2-acetylcyclopentyl]pyrrole-2,5-dione.
What is the SMILES notation for 1-[(1S,2S)-2-acetylcyclopentyl]pyrrole-2,5-dione?
The canonical SMILES for 1-[(1S,2S)-2-acetylcyclopentyl]pyrrole-2,5-dione is CC(=O)[C@H]1CCC[C@@H]1N1C(=O)C=CC1=O.
What is the InChIKey of 1-[(1S,2S)-2-acetylcyclopentyl]pyrrole-2,5-dione?
The InChIKey is HGLZTBJXQWTNGZ-BDAKNGLRSA-N. The full InChI is InChI=1S/C11H13NO3/c1-7(13)8-3-2-4-9(8)12-10(14)5-6-11(12)15/h5-6,8-9H,2-4H2,1H3/t8-,9+/m1/s1.
What are the key properties of 1-[(1S,2S)-2-acetylcyclopentyl]pyrrole-2,5-dione?
1-[(1S,2S)-2-acetylcyclopentyl]pyrrole-2,5-dione has a molecular weight of 207.23 g/mol, XLogP of 0.67, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1S,2S)-2-acetylcyclopentyl]pyrrole-2,5-dione is sourced from PubChem (CID 66880832), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).