3-benzyl-3-azabicyclo[3.1.0]hexane-2,4-dione

C12H11NO2 — CID 2764586

IUPAC3-benzyl-3-azabicyclo[3.1.0]hexane-2,4-dione
SMILESO=C1C2CC2C(=O)N1Cc1ccccc1
InChIInChI=1S/C12H11NO2/c14-11-9-6-10(9)12(15)13(11)7-8-4-2-1-3-5-8/h1-5,9-10H,6-7H2
InChIKeyJEISWFNRNZRSHM-UHFFFAOYSA-N
MW201.23 g/mol
LogP1.19
Rot. Bonds2

About 3-benzyl-3-azabicyclo[3.1.0]hexane-2,4-dione

3-benzyl-3-azabicyclo[3.1.0]hexane-2,4-dione (PubChem CID 2764586) has the molecular formula C12H11NO2 and a molecular weight of 201.23 g/mol. Its IUPAC name is 3-benzyl-3-azabicyclo[3.1.0]hexane-2,4-dione.

Molecular Properties

Compound Name3-benzyl-3-azabicyclo[3.1.0]hexane-2,4-dione
PubChem CID2764586
Molecular FormulaC12H11NO2
Molecular Weight201.23 g/mol
Exact Mass201.08
IUPAC Name3-benzyl-3-azabicyclo[3.1.0]hexane-2,4-dione
SMILESO=C1C2CC2C(=O)N1Cc1ccccc1
InChIInChI=1S/C12H11NO2/c14-11-9-6-10(9)12(15)13(11)7-8-4-2-1-3-5-8/h1-5,9-10H,6-7H2
InChIKeyJEISWFNRNZRSHM-UHFFFAOYSA-N
XLogP1.19
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.23
LogP ≤ 51.19
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 3-benzyl-3-azabicyclo[3.1.0]hexane-2,4-dione?
The IUPAC name of 3-benzyl-3-azabicyclo[3.1.0]hexane-2,4-dione (CID 2764586) is 3-benzyl-3-azabicyclo[3.1.0]hexane-2,4-dione.
What is the SMILES notation for 3-benzyl-3-azabicyclo[3.1.0]hexane-2,4-dione?
The canonical SMILES for 3-benzyl-3-azabicyclo[3.1.0]hexane-2,4-dione is O=C1C2CC2C(=O)N1Cc1ccccc1.
What is the InChIKey of 3-benzyl-3-azabicyclo[3.1.0]hexane-2,4-dione?
The InChIKey is JEISWFNRNZRSHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11NO2/c14-11-9-6-10(9)12(15)13(11)7-8-4-2-1-3-5-8/h1-5,9-10H,6-7H2.
What are the key properties of 3-benzyl-3-azabicyclo[3.1.0]hexane-2,4-dione?
3-benzyl-3-azabicyclo[3.1.0]hexane-2,4-dione has a molecular weight of 201.23 g/mol, XLogP of 1.19, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-benzyl-3-azabicyclo[3.1.0]hexane-2,4-dione is sourced from PubChem (CID 2764586), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).