3,5-diphenyl-1,2-diazabicyclo[2.1.0]pentane

C15H14N2 — CID 118675183

IUPAC3,5-diphenyl-1,2-diazabicyclo[2.1.0]pentane
SMILESc1ccc(C2NN3C(c4ccccc4)C23)cc1
InChIInChI=1S/C15H14N2/c1-3-7-11(8-4-1)13-15-14(17(15)16-13)12-9-5-2-6-10-12/h1-10,13-16H
InChIKeyOTIWXCQFGOCGGI-UHFFFAOYSA-N
MW222.29 g/mol
LogP2.67
Rot. Bonds2

About 3,5-diphenyl-1,2-diazabicyclo[2.1.0]pentane

3,5-diphenyl-1,2-diazabicyclo[2.1.0]pentane (PubChem CID 118675183) has the molecular formula C15H14N2 and a molecular weight of 222.29 g/mol. Its IUPAC name is 3,5-diphenyl-1,2-diazabicyclo[2.1.0]pentane.

Molecular Properties

Compound Name3,5-diphenyl-1,2-diazabicyclo[2.1.0]pentane
PubChem CID118675183
Molecular FormulaC15H14N2
Molecular Weight222.29 g/mol
Exact Mass222.12
IUPAC Name3,5-diphenyl-1,2-diazabicyclo[2.1.0]pentane
SMILESc1ccc(C2NN3C(c4ccccc4)C23)cc1
InChIInChI=1S/C15H14N2/c1-3-7-11(8-4-1)13-15-14(17(15)16-13)12-9-5-2-6-10-12/h1-10,13-16H
InChIKeyOTIWXCQFGOCGGI-UHFFFAOYSA-N
XLogP2.67
TPSA15.04 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.29
LogP ≤ 52.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3,5-diphenyl-1,2-diazabicyclo[2.1.0]pentane?
The IUPAC name of 3,5-diphenyl-1,2-diazabicyclo[2.1.0]pentane (CID 118675183) is 3,5-diphenyl-1,2-diazabicyclo[2.1.0]pentane.
What is the SMILES notation for 3,5-diphenyl-1,2-diazabicyclo[2.1.0]pentane?
The canonical SMILES for 3,5-diphenyl-1,2-diazabicyclo[2.1.0]pentane is c1ccc(C2NN3C(c4ccccc4)C23)cc1.
What is the InChIKey of 3,5-diphenyl-1,2-diazabicyclo[2.1.0]pentane?
The InChIKey is OTIWXCQFGOCGGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N2/c1-3-7-11(8-4-1)13-15-14(17(15)16-13)12-9-5-2-6-10-12/h1-10,13-16H.
What are the key properties of 3,5-diphenyl-1,2-diazabicyclo[2.1.0]pentane?
3,5-diphenyl-1,2-diazabicyclo[2.1.0]pentane has a molecular weight of 222.29 g/mol, XLogP of 2.67, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-diphenyl-1,2-diazabicyclo[2.1.0]pentane is sourced from PubChem (CID 118675183), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).