1-[(1S,2S,3S,4S)-2,3,4-tris(2-methylpropyl)cyclopentyl]pyrrole-2,5-dione

C21H35NO2 — CID 66881331

IUPAC1-[(1S,2S,3S,4S)-2,3,4-tris(2-methylpropyl)cyclopentyl]pyrrole-2,5-dione
SMILESCC(C)C[C@H]1C[C@H](N2C(=O)C=CC2=O)[C@@H](CC(C)C)[C@H]1CC(C)C
InChIInChI=1S/C21H35NO2/c1-13(2)9-16-12-19(22-20(23)7-8-21(22)24)18(11-15(5)6)17(16)10-14(3)4/h7-8,13-19H,9-12H2,1-6H3/t16-,17-,18-,19-/m0/s1
InChIKeyCGMYXEHLJIXRNS-VJANTYMQSA-N
MW333.52 g/mol
LogP4.67
Rot. Bonds7

About 1-[(1S,2S,3S,4S)-2,3,4-tris(2-methylpropyl)cyclopentyl]pyrrole-2,5-dione

1-[(1S,2S,3S,4S)-2,3,4-tris(2-methylpropyl)cyclopentyl]pyrrole-2,5-dione (PubChem CID 66881331) has the molecular formula C21H35NO2 and a molecular weight of 333.52 g/mol. Its IUPAC name is 1-[(1S,2S,3S,4S)-2,3,4-tris(2-methylpropyl)cyclopentyl]pyrrole-2,5-dione.

Molecular Properties

Compound Name1-[(1S,2S,3S,4S)-2,3,4-tris(2-methylpropyl)cyclopentyl]pyrrole-2,5-dione
PubChem CID66881331
Molecular FormulaC21H35NO2
Molecular Weight333.52 g/mol
Exact Mass333.27
IUPAC Name1-[(1S,2S,3S,4S)-2,3,4-tris(2-methylpropyl)cyclopentyl]pyrrole-2,5-dione
SMILESCC(C)C[C@H]1C[C@H](N2C(=O)C=CC2=O)[C@@H](CC(C)C)[C@H]1CC(C)C
InChIInChI=1S/C21H35NO2/c1-13(2)9-16-12-19(22-20(23)7-8-21(22)24)18(11-15(5)6)17(16)10-14(3)4/h7-8,13-19H,9-12H2,1-6H3/t16-,17-,18-,19-/m0/s1
InChIKeyCGMYXEHLJIXRNS-VJANTYMQSA-N
XLogP4.67
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.52
LogP ≤ 54.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 1-[(1S,2S,3S,4S)-2,3,4-tris(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

Frequently Asked Questions

What is the IUPAC name of 1-[(1S,2S,3S,4S)-2,3,4-tris(2-methylpropyl)cyclopentyl]pyrrole-2,5-dione?
The IUPAC name of 1-[(1S,2S,3S,4S)-2,3,4-tris(2-methylpropyl)cyclopentyl]pyrrole-2,5-dione (CID 66881331) is 1-[(1S,2S,3S,4S)-2,3,4-tris(2-methylpropyl)cyclopentyl]pyrrole-2,5-dione.
What is the SMILES notation for 1-[(1S,2S,3S,4S)-2,3,4-tris(2-methylpropyl)cyclopentyl]pyrrole-2,5-dione?
The canonical SMILES for 1-[(1S,2S,3S,4S)-2,3,4-tris(2-methylpropyl)cyclopentyl]pyrrole-2,5-dione is CC(C)C[C@H]1C[C@H](N2C(=O)C=CC2=O)[C@@H](CC(C)C)[C@H]1CC(C)C.
What is the InChIKey of 1-[(1S,2S,3S,4S)-2,3,4-tris(2-methylpropyl)cyclopentyl]pyrrole-2,5-dione?
The InChIKey is CGMYXEHLJIXRNS-VJANTYMQSA-N. The full InChI is InChI=1S/C21H35NO2/c1-13(2)9-16-12-19(22-20(23)7-8-21(22)24)18(11-15(5)6)17(16)10-14(3)4/h7-8,13-19H,9-12H2,1-6H3/t16-,17-,18-,19-/m0/s1.
What are the key properties of 1-[(1S,2S,3S,4S)-2,3,4-tris(2-methylpropyl)cyclopentyl]pyrrole-2,5-dione?
1-[(1S,2S,3S,4S)-2,3,4-tris(2-methylpropyl)cyclopentyl]pyrrole-2,5-dione has a molecular weight of 333.52 g/mol, XLogP of 4.67, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1S,2S,3S,4S)-2,3,4-tris(2-methylpropyl)cyclopentyl]pyrrole-2,5-dione is sourced from PubChem (CID 66881331), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).