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

C13H19NO2 — CID 66880343

IUPAC1-[(1S,2S)-2-tert-butylcyclopentyl]pyrrole-2,5-dione
SMILESCC(C)(C)[C@@H]1CCC[C@@H]1N1C(=O)C=CC1=O
InChIInChI=1S/C13H19NO2/c1-13(2,3)9-5-4-6-10(9)14-11(15)7-8-12(14)16/h7-10H,4-6H2,1-3H3/t9-,10+/m1/s1
InChIKeyYQXHCSXTVXCEJQ-ZJUUUORDSA-N
MW221.30 g/mol
LogP2.13
Rot. Bonds1

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

1-[(1S,2S)-2-tert-butylcyclopentyl]pyrrole-2,5-dione (PubChem CID 66880343) has the molecular formula C13H19NO2 and a molecular weight of 221.30 g/mol. Its IUPAC name is 1-[(1S,2S)-2-tert-butylcyclopentyl]pyrrole-2,5-dione.

Molecular Properties

Compound Name1-[(1S,2S)-2-tert-butylcyclopentyl]pyrrole-2,5-dione
PubChem CID66880343
Molecular FormulaC13H19NO2
Molecular Weight221.30 g/mol
Exact Mass221.14
IUPAC Name1-[(1S,2S)-2-tert-butylcyclopentyl]pyrrole-2,5-dione
SMILESCC(C)(C)[C@@H]1CCC[C@@H]1N1C(=O)C=CC1=O
InChIInChI=1S/C13H19NO2/c1-13(2,3)9-5-4-6-10(9)14-11(15)7-8-12(14)16/h7-10H,4-6H2,1-3H3/t9-,10+/m1/s1
InChIKeyYQXHCSXTVXCEJQ-ZJUUUORDSA-N
XLogP2.13
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
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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Related Compounds

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-Tert-butylcyclopentyl)pyrrole-2,5-dione
CID 18439118
1-(2,3-Diethylcyclopentyl)pyrrole-2,5-dione
CID 18439120
1-(2,3-Dimethylcyclopentyl)pyrrole-2,5-dione
CID 18439126
1-(2,3-Dibutylcyclopentyl)pyrrole-2,5-dione
CID 18439128
1-(2,3-Dipropylcyclopentyl)pyrrole-2,5-dione
CID 18439130
1-(2,3-Ditert-butylcyclopentyl)pyrrole-2,5-dione
CID 18439132
1-(2,3,4-Triethylcyclopentyl)pyrrole-2,5-dione
CID 18439134
1-(2,3,4-Trimethylcyclopentyl)pyrrole-2,5-dione
CID 18439140
1-(2,3,4-Tributylcyclopentyl)pyrrole-2,5-dione
CID 18439142

Frequently Asked Questions

What is the IUPAC name of 1-[(1S,2S)-2-tert-butylcyclopentyl]pyrrole-2,5-dione?
The IUPAC name of 1-[(1S,2S)-2-tert-butylcyclopentyl]pyrrole-2,5-dione (CID 66880343) is 1-[(1S,2S)-2-tert-butylcyclopentyl]pyrrole-2,5-dione.
What is the SMILES notation for 1-[(1S,2S)-2-tert-butylcyclopentyl]pyrrole-2,5-dione?
The canonical SMILES for 1-[(1S,2S)-2-tert-butylcyclopentyl]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-tert-butylcyclopentyl]pyrrole-2,5-dione?
The InChIKey is YQXHCSXTVXCEJQ-ZJUUUORDSA-N. The full InChI is InChI=1S/C13H19NO2/c1-13(2,3)9-5-4-6-10(9)14-11(15)7-8-12(14)16/h7-10H,4-6H2,1-3H3/t9-,10+/m1/s1.
What are the key properties of 1-[(1S,2S)-2-tert-butylcyclopentyl]pyrrole-2,5-dione?
1-[(1S,2S)-2-tert-butylcyclopentyl]pyrrole-2,5-dione has a molecular weight of 221.30 g/mol, XLogP of 2.13, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1S,2S)-2-tert-butylcyclopentyl]pyrrole-2,5-dione is sourced from PubChem (CID 66880343), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).