4-phenyl-2-oxa-3-azabicyclo[3.2.0]hept-3-ene

C11H11NO — CID 12999867

IUPAC4-phenyl-2-oxa-3-azabicyclo[3.2.0]hept-3-ene
SMILESc1ccc(C2=NOC3CCC23)cc1
InChIInChI=1S/C11H11NO/c1-2-4-8(5-3-1)11-9-6-7-10(9)13-12-11/h1-5,9-10H,6-7H2
InChIKeyCIVGBZHBYDUMSL-UHFFFAOYSA-N
MW173.22 g/mol
LogP2.20
Rot. Bonds1

About 4-phenyl-2-oxa-3-azabicyclo[3.2.0]hept-3-ene

4-phenyl-2-oxa-3-azabicyclo[3.2.0]hept-3-ene (PubChem CID 12999867) has the molecular formula C11H11NO and a molecular weight of 173.22 g/mol. Its IUPAC name is 4-phenyl-2-oxa-3-azabicyclo[3.2.0]hept-3-ene.

Molecular Properties

Compound Name4-phenyl-2-oxa-3-azabicyclo[3.2.0]hept-3-ene
PubChem CID12999867
Molecular FormulaC11H11NO
Molecular Weight173.22 g/mol
Exact Mass173.08
IUPAC Name4-phenyl-2-oxa-3-azabicyclo[3.2.0]hept-3-ene
SMILESc1ccc(C2=NOC3CCC23)cc1
InChIInChI=1S/C11H11NO/c1-2-4-8(5-3-1)11-9-6-7-10(9)13-12-11/h1-5,9-10H,6-7H2
InChIKeyCIVGBZHBYDUMSL-UHFFFAOYSA-N
XLogP2.20
TPSA21.59 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.22
LogP ≤ 52.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-phenyl-2-oxa-3-azabicyclo[3.2.0]hept-3-ene?
The IUPAC name of 4-phenyl-2-oxa-3-azabicyclo[3.2.0]hept-3-ene (CID 12999867) is 4-phenyl-2-oxa-3-azabicyclo[3.2.0]hept-3-ene.
What is the SMILES notation for 4-phenyl-2-oxa-3-azabicyclo[3.2.0]hept-3-ene?
The canonical SMILES for 4-phenyl-2-oxa-3-azabicyclo[3.2.0]hept-3-ene is c1ccc(C2=NOC3CCC23)cc1.
What is the InChIKey of 4-phenyl-2-oxa-3-azabicyclo[3.2.0]hept-3-ene?
The InChIKey is CIVGBZHBYDUMSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11NO/c1-2-4-8(5-3-1)11-9-6-7-10(9)13-12-11/h1-5,9-10H,6-7H2.
What are the key properties of 4-phenyl-2-oxa-3-azabicyclo[3.2.0]hept-3-ene?
4-phenyl-2-oxa-3-azabicyclo[3.2.0]hept-3-ene has a molecular weight of 173.22 g/mol, XLogP of 2.20, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-phenyl-2-oxa-3-azabicyclo[3.2.0]hept-3-ene is sourced from PubChem (CID 12999867), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).