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

C13H19NO2 — CID 66880916

IUPAC1-[(1S,2S)-2-(2-methylpropyl)cyclopentyl]pyrrole-2,5-dione
SMILESCC(C)C[C@@H]1CCC[C@@H]1N1C(=O)C=CC1=O
InChIInChI=1S/C13H19NO2/c1-9(2)8-10-4-3-5-11(10)14-12(15)6-7-13(14)16/h6-7,9-11H,3-5,8H2,1-2H3/t10-,11-/m0/s1
InChIKeyWDCLTUKCRATJSA-QWRGUYRKSA-N
MW221.30 g/mol
LogP2.13
Rot. Bonds3

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

1-[(1S,2S)-2-(2-methylpropyl)cyclopentyl]pyrrole-2,5-dione (PubChem CID 66880916) has the molecular formula C13H19NO2 and a molecular weight of 221.30 g/mol. Its IUPAC name is 1-[(1S,2S)-2-(2-methylpropyl)cyclopentyl]pyrrole-2,5-dione.

Molecular Properties

Compound Name1-[(1S,2S)-2-(2-methylpropyl)cyclopentyl]pyrrole-2,5-dione
PubChem CID66880916
Molecular FormulaC13H19NO2
Molecular Weight221.30 g/mol
Exact Mass221.14
IUPAC Name1-[(1S,2S)-2-(2-methylpropyl)cyclopentyl]pyrrole-2,5-dione
SMILESCC(C)C[C@@H]1CCC[C@@H]1N1C(=O)C=CC1=O
InChIInChI=1S/C13H19NO2/c1-9(2)8-10-4-3-5-11(10)14-12(15)6-7-13(14)16/h6-7,9-11H,3-5,8H2,1-2H3/t10-,11-/m0/s1
InChIKeyWDCLTUKCRATJSA-QWRGUYRKSA-N
XLogP2.13
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.30
LogP ≤ 52.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 1-[(1S,2S)-2-(2-methylpropyl)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

Related Compounds

Maleimidoethyl cyclohexane
CID 60920082
N-menthylmaleimide
CID 129695228
N-(2-decyltetradecyl)-maleimide
CID 129839852
1-[6-(Trifluoromethyl)octyl]pyrrole-2,5-dione
CID 144997498
1-[8-Methyl-6-(trifluoromethyl)nonyl]pyrrole-2,5-dione
CID 144997607
N-l-menthyl maleimide
CID 129695229
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-Tert-butylcyclopentyl)pyrrole-2,5-dione
CID 18439118

Frequently Asked Questions

What is the IUPAC name of 1-[(1S,2S)-2-(2-methylpropyl)cyclopentyl]pyrrole-2,5-dione?
The IUPAC name of 1-[(1S,2S)-2-(2-methylpropyl)cyclopentyl]pyrrole-2,5-dione (CID 66880916) is 1-[(1S,2S)-2-(2-methylpropyl)cyclopentyl]pyrrole-2,5-dione.
What is the SMILES notation for 1-[(1S,2S)-2-(2-methylpropyl)cyclopentyl]pyrrole-2,5-dione?
The canonical SMILES for 1-[(1S,2S)-2-(2-methylpropyl)cyclopentyl]pyrrole-2,5-dione is CC(C)C[C@@H]1CCC[C@@H]1N1C(=O)C=CC1=O.
What is the InChIKey of 1-[(1S,2S)-2-(2-methylpropyl)cyclopentyl]pyrrole-2,5-dione?
The InChIKey is WDCLTUKCRATJSA-QWRGUYRKSA-N. The full InChI is InChI=1S/C13H19NO2/c1-9(2)8-10-4-3-5-11(10)14-12(15)6-7-13(14)16/h6-7,9-11H,3-5,8H2,1-2H3/t10-,11-/m0/s1.
What are the key properties of 1-[(1S,2S)-2-(2-methylpropyl)cyclopentyl]pyrrole-2,5-dione?
1-[(1S,2S)-2-(2-methylpropyl)cyclopentyl]pyrrole-2,5-dione has a molecular weight of 221.30 g/mol, XLogP of 2.13, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1S,2S)-2-(2-methylpropyl)cyclopentyl]pyrrole-2,5-dione is sourced from PubChem (CID 66880916), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).