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

C13H19NO2 — CID 66880504

IUPAC1-[(1S,2R)-2,3-diethylcyclopentyl]pyrrole-2,5-dione
SMILESCCC1CC[C@H](N2C(=O)C=CC2=O)[C@@H]1CC
InChIInChI=1S/C13H19NO2/c1-3-9-5-6-11(10(9)4-2)14-12(15)7-8-13(14)16/h7-11H,3-6H2,1-2H3/t9?,10-,11+/m1/s1
InChIKeyRSVOCOLSHWPGBX-ZOCYIJKUSA-N
MW221.30 g/mol
LogP2.13
Rot. Bonds3

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

1-[(1S,2R)-2,3-diethylcyclopentyl]pyrrole-2,5-dione (PubChem CID 66880504) has the molecular formula C13H19NO2 and a molecular weight of 221.30 g/mol. Its IUPAC name is 1-[(1S,2R)-2,3-diethylcyclopentyl]pyrrole-2,5-dione.

Molecular Properties

Compound Name1-[(1S,2R)-2,3-diethylcyclopentyl]pyrrole-2,5-dione
PubChem CID66880504
Molecular FormulaC13H19NO2
Molecular Weight221.30 g/mol
Exact Mass221.14
IUPAC Name1-[(1S,2R)-2,3-diethylcyclopentyl]pyrrole-2,5-dione
SMILESCCC1CC[C@H](N2C(=O)C=CC2=O)[C@@H]1CC
InChIInChI=1S/C13H19NO2/c1-3-9-5-6-11(10(9)4-2)14-12(15)7-8-13(14)16/h7-11H,3-6H2,1-2H3/t9?,10-,11+/m1/s1
InChIKeyRSVOCOLSHWPGBX-ZOCYIJKUSA-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'}

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Frequently Asked Questions

What is the IUPAC name of 1-[(1S,2R)-2,3-diethylcyclopentyl]pyrrole-2,5-dione?
The IUPAC name of 1-[(1S,2R)-2,3-diethylcyclopentyl]pyrrole-2,5-dione (CID 66880504) is 1-[(1S,2R)-2,3-diethylcyclopentyl]pyrrole-2,5-dione.
What is the SMILES notation for 1-[(1S,2R)-2,3-diethylcyclopentyl]pyrrole-2,5-dione?
The canonical SMILES for 1-[(1S,2R)-2,3-diethylcyclopentyl]pyrrole-2,5-dione is CCC1CC[C@H](N2C(=O)C=CC2=O)[C@@H]1CC.
What is the InChIKey of 1-[(1S,2R)-2,3-diethylcyclopentyl]pyrrole-2,5-dione?
The InChIKey is RSVOCOLSHWPGBX-ZOCYIJKUSA-N. The full InChI is InChI=1S/C13H19NO2/c1-3-9-5-6-11(10(9)4-2)14-12(15)7-8-13(14)16/h7-11H,3-6H2,1-2H3/t9?,10-,11+/m1/s1.
What are the key properties of 1-[(1S,2R)-2,3-diethylcyclopentyl]pyrrole-2,5-dione?
1-[(1S,2R)-2,3-diethylcyclopentyl]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,2R)-2,3-diethylcyclopentyl]pyrrole-2,5-dione is sourced from PubChem (CID 66880504), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).