1-(3-aminocyclobutyl)pyrrole-2,5-dione

C8H10N2O2 — CID 61348426

IUPAC1-(3-aminocyclobutyl)pyrrole-2,5-dione
SMILESNC1CC(N2C(=O)C=CC2=O)C1
InChIInChI=1S/C8H10N2O2/c9-5-3-6(4-5)10-7(11)1-2-8(10)12/h1-2,5-6H,3-4,9H2
InChIKeyKEUVVIJBQSZDQD-UHFFFAOYSA-N
MW166.18 g/mol
LogP-0.60
Rot. Bonds1

About 1-(3-aminocyclobutyl)pyrrole-2,5-dione

1-(3-aminocyclobutyl)pyrrole-2,5-dione (PubChem CID 61348426) has the molecular formula C8H10N2O2 and a molecular weight of 166.18 g/mol. Its IUPAC name is 1-(3-aminocyclobutyl)pyrrole-2,5-dione.

Molecular Properties

Compound Name1-(3-aminocyclobutyl)pyrrole-2,5-dione
PubChem CID61348426
Molecular FormulaC8H10N2O2
Molecular Weight166.18 g/mol
Exact Mass166.07
IUPAC Name1-(3-aminocyclobutyl)pyrrole-2,5-dione
SMILESNC1CC(N2C(=O)C=CC2=O)C1
InChIInChI=1S/C8H10N2O2/c9-5-3-6(4-5)10-7(11)1-2-8(10)12/h1-2,5-6H,3-4,9H2
InChIKeyKEUVVIJBQSZDQD-UHFFFAOYSA-N
XLogP-0.60
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.18
LogP ≤ 5-0.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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-(3-aminocyclobutyl)pyrrole-2,5-dione?
The IUPAC name of 1-(3-aminocyclobutyl)pyrrole-2,5-dione (CID 61348426) is 1-(3-aminocyclobutyl)pyrrole-2,5-dione.
What is the SMILES notation for 1-(3-aminocyclobutyl)pyrrole-2,5-dione?
The canonical SMILES for 1-(3-aminocyclobutyl)pyrrole-2,5-dione is NC1CC(N2C(=O)C=CC2=O)C1.
What is the InChIKey of 1-(3-aminocyclobutyl)pyrrole-2,5-dione?
The InChIKey is KEUVVIJBQSZDQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10N2O2/c9-5-3-6(4-5)10-7(11)1-2-8(10)12/h1-2,5-6H,3-4,9H2.
What are the key properties of 1-(3-aminocyclobutyl)pyrrole-2,5-dione?
1-(3-aminocyclobutyl)pyrrole-2,5-dione has a molecular weight of 166.18 g/mol, XLogP of -0.60, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-aminocyclobutyl)pyrrole-2,5-dione is sourced from PubChem (CID 61348426), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).