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

C14H19NO3 — CID 66881102

IUPAC1-[(1S,2S)-2-(2,2-dimethylpropanoyl)cyclopentyl]pyrrole-2,5-dione
SMILESCC(C)(C)C(=O)[C@H]1CCC[C@@H]1N1C(=O)C=CC1=O
InChIInChI=1S/C14H19NO3/c1-14(2,3)13(18)9-5-4-6-10(9)15-11(16)7-8-12(15)17/h7-10H,4-6H2,1-3H3/t9-,10-/m0/s1
InChIKeyLPIOMWKYMQTUGD-UWVGGRQHSA-N
MW249.31 g/mol
LogP1.70
Rot. Bonds2

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

1-[(1S,2S)-2-(2,2-dimethylpropanoyl)cyclopentyl]pyrrole-2,5-dione (PubChem CID 66881102) has the molecular formula C14H19NO3 and a molecular weight of 249.31 g/mol. Its IUPAC name is 1-[(1S,2S)-2-(2,2-dimethylpropanoyl)cyclopentyl]pyrrole-2,5-dione.

Molecular Properties

Compound Name1-[(1S,2S)-2-(2,2-dimethylpropanoyl)cyclopentyl]pyrrole-2,5-dione
PubChem CID66881102
Molecular FormulaC14H19NO3
Molecular Weight249.31 g/mol
Exact Mass249.14
IUPAC Name1-[(1S,2S)-2-(2,2-dimethylpropanoyl)cyclopentyl]pyrrole-2,5-dione
SMILESCC(C)(C)C(=O)[C@H]1CCC[C@@H]1N1C(=O)C=CC1=O
InChIInChI=1S/C14H19NO3/c1-14(2,3)13(18)9-5-4-6-10(9)15-11(16)7-8-12(15)17/h7-10H,4-6H2,1-3H3/t9-,10-/m0/s1
InChIKeyLPIOMWKYMQTUGD-UWVGGRQHSA-N
XLogP1.70
TPSA54.45 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.31
LogP ≤ 51.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 1-[(1S,2S)-2-(2,2-dimethylpropanoyl)cyclopentyl]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)-2-(2,2-dimethylpropanoyl)cyclopentyl]pyrrole-2,5-dione?
The IUPAC name of 1-[(1S,2S)-2-(2,2-dimethylpropanoyl)cyclopentyl]pyrrole-2,5-dione (CID 66881102) is 1-[(1S,2S)-2-(2,2-dimethylpropanoyl)cyclopentyl]pyrrole-2,5-dione.
What is the SMILES notation for 1-[(1S,2S)-2-(2,2-dimethylpropanoyl)cyclopentyl]pyrrole-2,5-dione?
The canonical SMILES for 1-[(1S,2S)-2-(2,2-dimethylpropanoyl)cyclopentyl]pyrrole-2,5-dione is CC(C)(C)C(=O)[C@H]1CCC[C@@H]1N1C(=O)C=CC1=O.
What is the InChIKey of 1-[(1S,2S)-2-(2,2-dimethylpropanoyl)cyclopentyl]pyrrole-2,5-dione?
The InChIKey is LPIOMWKYMQTUGD-UWVGGRQHSA-N. The full InChI is InChI=1S/C14H19NO3/c1-14(2,3)13(18)9-5-4-6-10(9)15-11(16)7-8-12(15)17/h7-10H,4-6H2,1-3H3/t9-,10-/m0/s1.
What are the key properties of 1-[(1S,2S)-2-(2,2-dimethylpropanoyl)cyclopentyl]pyrrole-2,5-dione?
1-[(1S,2S)-2-(2,2-dimethylpropanoyl)cyclopentyl]pyrrole-2,5-dione has a molecular weight of 249.31 g/mol, XLogP of 1.70, 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-(2,2-dimethylpropanoyl)cyclopentyl]pyrrole-2,5-dione is sourced from PubChem (CID 66881102), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).