1-(3-bicyclo[3.1.0]hexanyl)pyrrolidine-2,4-dione

C10H13NO2 — CID 130791739

IUPAC1-(3-bicyclo[3.1.0]hexanyl)pyrrolidine-2,4-dione
SMILESO=C1CC(=O)N(C2CC3CC3C2)C1
InChIInChI=1S/C10H13NO2/c12-9-4-10(13)11(5-9)8-2-6-1-7(6)3-8/h6-8H,1-5H2
InChIKeyLDCVTNMNYHRCJQ-UHFFFAOYSA-N
MW179.22 g/mol
LogP0.59
Rot. Bonds1

About 1-(3-bicyclo[3.1.0]hexanyl)pyrrolidine-2,4-dione

1-(3-bicyclo[3.1.0]hexanyl)pyrrolidine-2,4-dione (PubChem CID 130791739) has the molecular formula C10H13NO2 and a molecular weight of 179.22 g/mol. Its IUPAC name is 1-(3-bicyclo[3.1.0]hexanyl)pyrrolidine-2,4-dione.

Molecular Properties

Compound Name1-(3-bicyclo[3.1.0]hexanyl)pyrrolidine-2,4-dione
PubChem CID130791739
Molecular FormulaC10H13NO2
Molecular Weight179.22 g/mol
Exact Mass179.09
IUPAC Name1-(3-bicyclo[3.1.0]hexanyl)pyrrolidine-2,4-dione
SMILESO=C1CC(=O)N(C2CC3CC3C2)C1
InChIInChI=1S/C10H13NO2/c12-9-4-10(13)11(5-9)8-2-6-1-7(6)3-8/h6-8H,1-5H2
InChIKeyLDCVTNMNYHRCJQ-UHFFFAOYSA-N
XLogP0.59
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.22
LogP ≤ 50.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-(3-bicyclo[3.1.0]hexanyl)pyrrolidine-2,4-dione?
The IUPAC name of 1-(3-bicyclo[3.1.0]hexanyl)pyrrolidine-2,4-dione (CID 130791739) is 1-(3-bicyclo[3.1.0]hexanyl)pyrrolidine-2,4-dione.
What is the SMILES notation for 1-(3-bicyclo[3.1.0]hexanyl)pyrrolidine-2,4-dione?
The canonical SMILES for 1-(3-bicyclo[3.1.0]hexanyl)pyrrolidine-2,4-dione is O=C1CC(=O)N(C2CC3CC3C2)C1.
What is the InChIKey of 1-(3-bicyclo[3.1.0]hexanyl)pyrrolidine-2,4-dione?
The InChIKey is LDCVTNMNYHRCJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13NO2/c12-9-4-10(13)11(5-9)8-2-6-1-7(6)3-8/h6-8H,1-5H2.
What are the key properties of 1-(3-bicyclo[3.1.0]hexanyl)pyrrolidine-2,4-dione?
1-(3-bicyclo[3.1.0]hexanyl)pyrrolidine-2,4-dione has a molecular weight of 179.22 g/mol, XLogP of 0.59, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-bicyclo[3.1.0]hexanyl)pyrrolidine-2,4-dione is sourced from PubChem (CID 130791739), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).