3-cyclopentylpyrrole-2,5-dione

C9H11NO2 — CID 23033262

IUPAC3-cyclopentylpyrrole-2,5-dione
SMILESO=C1C=C(C2CCCC2)C(=O)N1
InChIInChI=1S/C9H11NO2/c11-8-5-7(9(12)10-8)6-3-1-2-4-6/h5-6H,1-4H2,(H,10,11,12)
InChIKeyYJANYXZKBRGGDJ-UHFFFAOYSA-N
MW165.19 g/mol
LogP0.76
Rot. Bonds1

About 3-cyclopentylpyrrole-2,5-dione

3-cyclopentylpyrrole-2,5-dione (PubChem CID 23033262) has the molecular formula C9H11NO2 and a molecular weight of 165.19 g/mol. Its IUPAC name is 3-cyclopentylpyrrole-2,5-dione.

Molecular Properties

Compound Name3-cyclopentylpyrrole-2,5-dione
PubChem CID23033262
Molecular FormulaC9H11NO2
Molecular Weight165.19 g/mol
Exact Mass165.08
IUPAC Name3-cyclopentylpyrrole-2,5-dione
SMILESO=C1C=C(C2CCCC2)C(=O)N1
InChIInChI=1S/C9H11NO2/c11-8-5-7(9(12)10-8)6-3-1-2-4-6/h5-6H,1-4H2,(H,10,11,12)
InChIKeyYJANYXZKBRGGDJ-UHFFFAOYSA-N
XLogP0.76
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500165.19
LogP ≤ 50.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

Cyclohexylmaleimide
CID 19810763
Tetrahydroisoquinoline-1,3-dione
CID 20478685
Tetrahydroisoindole-1,3-dione
CID 21525404
Butylmaleimide
CID 21880474
Octylmaleimide
CID 21880496
Hexylmaleimide
CID 21880509
3,3'-(Ethane-1,2-diyl)bis(1H-pyrrole-2,5-dione)
CID 22721433
Hexamethylene-bis-maleimide
CID 22989081
3-(4-Methylcyclohexyl)pyrrole-2,5-dione
CID 17804159
4-[(2,5-Dioxopyrrol-3-yl)methyl]cyclohexane-1-carboxamide
CID 17845334
5-(2,5-Dioxopyrrol-3-yl)pentanal
CID 17899390
3-[9-(2,5-Dioxopyrrol-3-yl)-4,6-diethylnonyl]pyrrole-2,5-dione
CID 17992943

Frequently Asked Questions

What is the IUPAC name of 3-cyclopentylpyrrole-2,5-dione?
The IUPAC name of 3-cyclopentylpyrrole-2,5-dione (CID 23033262) is 3-cyclopentylpyrrole-2,5-dione.
What is the SMILES notation for 3-cyclopentylpyrrole-2,5-dione?
The canonical SMILES for 3-cyclopentylpyrrole-2,5-dione is O=C1C=C(C2CCCC2)C(=O)N1.
What is the InChIKey of 3-cyclopentylpyrrole-2,5-dione?
The InChIKey is YJANYXZKBRGGDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11NO2/c11-8-5-7(9(12)10-8)6-3-1-2-4-6/h5-6H,1-4H2,(H,10,11,12).
What are the key properties of 3-cyclopentylpyrrole-2,5-dione?
3-cyclopentylpyrrole-2,5-dione has a molecular weight of 165.19 g/mol, XLogP of 0.76, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclopentylpyrrole-2,5-dione is sourced from PubChem (CID 23033262), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).