1-(cyclopenten-1-yl)pyrrole-2,5-dione

C9H9NO2 — CID 175493199

IUPAC1-(cyclopenten-1-yl)pyrrole-2,5-dione
SMILESO=C1C=CC(=O)N1C1=CCCC1
InChIInChI=1S/C9H9NO2/c11-8-5-6-9(12)10(8)7-3-1-2-4-7/h3,5-6H,1-2,4H2
InChIKeyNQFQNYCYEVDARF-UHFFFAOYSA-N
MW163.18 g/mol
LogP0.98
Rot. Bonds1

About 1-(cyclopenten-1-yl)pyrrole-2,5-dione

1-(cyclopenten-1-yl)pyrrole-2,5-dione (PubChem CID 175493199) has the molecular formula C9H9NO2 and a molecular weight of 163.18 g/mol. Its IUPAC name is 1-(cyclopenten-1-yl)pyrrole-2,5-dione.

Molecular Properties

Compound Name1-(cyclopenten-1-yl)pyrrole-2,5-dione
PubChem CID175493199
Molecular FormulaC9H9NO2
Molecular Weight163.18 g/mol
Exact Mass163.06
IUPAC Name1-(cyclopenten-1-yl)pyrrole-2,5-dione
SMILESO=C1C=CC(=O)N1C1=CCCC1
InChIInChI=1S/C9H9NO2/c11-8-5-6-9(12)10(8)7-3-1-2-4-7/h3,5-6H,1-2,4H2
InChIKeyNQFQNYCYEVDARF-UHFFFAOYSA-N
XLogP0.98
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500163.18
LogP ≤ 50.98
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-(cyclopenten-1-yl)pyrrole-2,5-dione?
The IUPAC name of 1-(cyclopenten-1-yl)pyrrole-2,5-dione (CID 175493199) is 1-(cyclopenten-1-yl)pyrrole-2,5-dione.
What is the SMILES notation for 1-(cyclopenten-1-yl)pyrrole-2,5-dione?
The canonical SMILES for 1-(cyclopenten-1-yl)pyrrole-2,5-dione is O=C1C=CC(=O)N1C1=CCCC1.
What is the InChIKey of 1-(cyclopenten-1-yl)pyrrole-2,5-dione?
The InChIKey is NQFQNYCYEVDARF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9NO2/c11-8-5-6-9(12)10(8)7-3-1-2-4-7/h3,5-6H,1-2,4H2.
What are the key properties of 1-(cyclopenten-1-yl)pyrrole-2,5-dione?
1-(cyclopenten-1-yl)pyrrole-2,5-dione has a molecular weight of 163.18 g/mol, XLogP of 0.98, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(cyclopenten-1-yl)pyrrole-2,5-dione is sourced from PubChem (CID 175493199), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).