1-(3-azabicyclo[3.1.0]hexan-6-yl)pyrrolidine-2,5-dione

C9H12N2O2 — CID 61349772

IUPAC1-(3-azabicyclo[3.1.0]hexan-6-yl)pyrrolidine-2,5-dione
SMILESO=C1CCC(=O)N1C1C2CNCC21
InChIInChI=1S/C9H12N2O2/c12-7-1-2-8(13)11(7)9-5-3-10-4-6(5)9/h5-6,9-10H,1-4H2
InChIKeyMVUUTKWIFTWLLY-UHFFFAOYSA-N
MW180.21 g/mol
LogP-0.65
Rot. Bonds1

About 1-(3-azabicyclo[3.1.0]hexan-6-yl)pyrrolidine-2,5-dione

1-(3-azabicyclo[3.1.0]hexan-6-yl)pyrrolidine-2,5-dione (PubChem CID 61349772) has the molecular formula C9H12N2O2 and a molecular weight of 180.21 g/mol. Its IUPAC name is 1-(3-azabicyclo[3.1.0]hexan-6-yl)pyrrolidine-2,5-dione.

Molecular Properties

Compound Name1-(3-azabicyclo[3.1.0]hexan-6-yl)pyrrolidine-2,5-dione
PubChem CID61349772
Molecular FormulaC9H12N2O2
Molecular Weight180.21 g/mol
Exact Mass180.09
IUPAC Name1-(3-azabicyclo[3.1.0]hexan-6-yl)pyrrolidine-2,5-dione
SMILESO=C1CCC(=O)N1C1C2CNCC21
InChIInChI=1S/C9H12N2O2/c12-7-1-2-8(13)11(7)9-5-3-10-4-6(5)9/h5-6,9-10H,1-4H2
InChIKeyMVUUTKWIFTWLLY-UHFFFAOYSA-N
XLogP-0.65
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.21
LogP ≤ 5-0.65
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-azabicyclo[3.1.0]hexan-6-yl)pyrrolidine-2,5-dione?
The IUPAC name of 1-(3-azabicyclo[3.1.0]hexan-6-yl)pyrrolidine-2,5-dione (CID 61349772) is 1-(3-azabicyclo[3.1.0]hexan-6-yl)pyrrolidine-2,5-dione.
What is the SMILES notation for 1-(3-azabicyclo[3.1.0]hexan-6-yl)pyrrolidine-2,5-dione?
The canonical SMILES for 1-(3-azabicyclo[3.1.0]hexan-6-yl)pyrrolidine-2,5-dione is O=C1CCC(=O)N1C1C2CNCC21.
What is the InChIKey of 1-(3-azabicyclo[3.1.0]hexan-6-yl)pyrrolidine-2,5-dione?
The InChIKey is MVUUTKWIFTWLLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N2O2/c12-7-1-2-8(13)11(7)9-5-3-10-4-6(5)9/h5-6,9-10H,1-4H2.
What are the key properties of 1-(3-azabicyclo[3.1.0]hexan-6-yl)pyrrolidine-2,5-dione?
1-(3-azabicyclo[3.1.0]hexan-6-yl)pyrrolidine-2,5-dione has a molecular weight of 180.21 g/mol, XLogP of -0.65, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-azabicyclo[3.1.0]hexan-6-yl)pyrrolidine-2,5-dione is sourced from PubChem (CID 61349772), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).