4-(4-nitrophenyl)-6,6-diphenyl-2-oxa-3-azabicyclo[3.1.0]hex-3-ene

C22H16N2O3 — CID 4315247

IUPAC4-(4-nitrophenyl)-6,6-diphenyl-2-oxa-3-azabicyclo[3.1.0]hex-3-ene
SMILESO=[N+]([O-])c1ccc(C2=NOC3C2C3(c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C22H16N2O3/c25-24(26)18-13-11-15(12-14-18)20-19-21(27-23-20)22(19,16-7-3-1-4-8-16)17-9-5-2-6-10-17/h1-14,19,21H
InChIKeyOYSKUIOHXZPLOM-UHFFFAOYSA-N
MW356.38 g/mol
LogP4.31
Rot. Bonds4

About 4-(4-nitrophenyl)-6,6-diphenyl-2-oxa-3-azabicyclo[3.1.0]hex-3-ene

4-(4-nitrophenyl)-6,6-diphenyl-2-oxa-3-azabicyclo[3.1.0]hex-3-ene (PubChem CID 4315247) has the molecular formula C22H16N2O3 and a molecular weight of 356.38 g/mol. Its IUPAC name is 4-(4-nitrophenyl)-6,6-diphenyl-2-oxa-3-azabicyclo[3.1.0]hex-3-ene.

Molecular Properties

Compound Name4-(4-nitrophenyl)-6,6-diphenyl-2-oxa-3-azabicyclo[3.1.0]hex-3-ene
PubChem CID4315247
Molecular FormulaC22H16N2O3
Molecular Weight356.38 g/mol
Exact Mass356.12
IUPAC Name4-(4-nitrophenyl)-6,6-diphenyl-2-oxa-3-azabicyclo[3.1.0]hex-3-ene
SMILESO=[N+]([O-])c1ccc(C2=NOC3C2C3(c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C22H16N2O3/c25-24(26)18-13-11-15(12-14-18)20-19-21(27-23-20)22(19,16-7-3-1-4-8-16)17-9-5-2-6-10-17/h1-14,19,21H
InChIKeyOYSKUIOHXZPLOM-UHFFFAOYSA-N
XLogP4.31
TPSA64.73 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.38
LogP ≤ 54.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-(4-nitrophenyl)-6,6-diphenyl-2-oxa-3-azabicyclo[3.1.0]hex-3-ene?
The IUPAC name of 4-(4-nitrophenyl)-6,6-diphenyl-2-oxa-3-azabicyclo[3.1.0]hex-3-ene (CID 4315247) is 4-(4-nitrophenyl)-6,6-diphenyl-2-oxa-3-azabicyclo[3.1.0]hex-3-ene.
What is the SMILES notation for 4-(4-nitrophenyl)-6,6-diphenyl-2-oxa-3-azabicyclo[3.1.0]hex-3-ene?
The canonical SMILES for 4-(4-nitrophenyl)-6,6-diphenyl-2-oxa-3-azabicyclo[3.1.0]hex-3-ene is O=[N+]([O-])c1ccc(C2=NOC3C2C3(c2ccccc2)c2ccccc2)cc1.
What is the InChIKey of 4-(4-nitrophenyl)-6,6-diphenyl-2-oxa-3-azabicyclo[3.1.0]hex-3-ene?
The InChIKey is OYSKUIOHXZPLOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H16N2O3/c25-24(26)18-13-11-15(12-14-18)20-19-21(27-23-20)22(19,16-7-3-1-4-8-16)17-9-5-2-6-10-17/h1-14,19,21H.
What are the key properties of 4-(4-nitrophenyl)-6,6-diphenyl-2-oxa-3-azabicyclo[3.1.0]hex-3-ene?
4-(4-nitrophenyl)-6,6-diphenyl-2-oxa-3-azabicyclo[3.1.0]hex-3-ene has a molecular weight of 356.38 g/mol, XLogP of 4.31, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-nitrophenyl)-6,6-diphenyl-2-oxa-3-azabicyclo[3.1.0]hex-3-ene is sourced from PubChem (CID 4315247), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).