1-(cyclobutylmethyl)pyrrole-2,5-dione

C9H11NO2 — CID 43298728

IUPAC1-(cyclobutylmethyl)pyrrole-2,5-dione
SMILESO=C1C=CC(=O)N1CC1CCC1
InChIInChI=1S/C9H11NO2/c11-8-4-5-9(12)10(8)6-7-2-1-3-7/h4-5,7H,1-3,6H2
InChIKeyQWUXYSGSDFZZLI-UHFFFAOYSA-N
MW165.19 g/mol
LogP0.71
Rot. Bonds2

About 1-(cyclobutylmethyl)pyrrole-2,5-dione

1-(cyclobutylmethyl)pyrrole-2,5-dione (PubChem CID 43298728) has the molecular formula C9H11NO2 and a molecular weight of 165.19 g/mol. Its IUPAC name is 1-(cyclobutylmethyl)pyrrole-2,5-dione.

Molecular Properties

Compound Name1-(cyclobutylmethyl)pyrrole-2,5-dione
PubChem CID43298728
Molecular FormulaC9H11NO2
Molecular Weight165.19 g/mol
Exact Mass165.08
IUPAC Name1-(cyclobutylmethyl)pyrrole-2,5-dione
SMILESO=C1C=CC(=O)N1CC1CCC1
InChIInChI=1S/C9H11NO2/c11-8-4-5-9(12)10(8)6-7-2-1-3-7/h4-5,7H,1-3,6H2
InChIKeyQWUXYSGSDFZZLI-UHFFFAOYSA-N
XLogP0.71
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500165.19
LogP ≤ 50.71
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-(cyclobutylmethyl)pyrrole-2,5-dione?
The IUPAC name of 1-(cyclobutylmethyl)pyrrole-2,5-dione (CID 43298728) is 1-(cyclobutylmethyl)pyrrole-2,5-dione.
What is the SMILES notation for 1-(cyclobutylmethyl)pyrrole-2,5-dione?
The canonical SMILES for 1-(cyclobutylmethyl)pyrrole-2,5-dione is O=C1C=CC(=O)N1CC1CCC1.
What is the InChIKey of 1-(cyclobutylmethyl)pyrrole-2,5-dione?
The InChIKey is QWUXYSGSDFZZLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11NO2/c11-8-4-5-9(12)10(8)6-7-2-1-3-7/h4-5,7H,1-3,6H2.
What are the key properties of 1-(cyclobutylmethyl)pyrrole-2,5-dione?
1-(cyclobutylmethyl)pyrrole-2,5-dione has a molecular weight of 165.19 g/mol, XLogP of 0.71, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(cyclobutylmethyl)pyrrole-2,5-dione is sourced from PubChem (CID 43298728), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).