3-phenyl-4-oxa-2,6-diazabicyclo[3.2.0]hept-2-en-7-one

C10H8N2O2 — CID 13276950

IUPAC3-phenyl-4-oxa-2,6-diazabicyclo[3.2.0]hept-2-en-7-one
SMILESO=C1NC2OC(c3ccccc3)=NC12
InChIInChI=1S/C10H8N2O2/c13-8-7-10(12-8)14-9(11-7)6-4-2-1-3-5-6/h1-5,7,10H,(H,12,13)
InChIKeyQNNNADMVQUMBHA-UHFFFAOYSA-N
MW188.19 g/mol
LogP0.29
Rot. Bonds1

About 3-phenyl-4-oxa-2,6-diazabicyclo[3.2.0]hept-2-en-7-one

3-phenyl-4-oxa-2,6-diazabicyclo[3.2.0]hept-2-en-7-one (PubChem CID 13276950) has the molecular formula C10H8N2O2 and a molecular weight of 188.19 g/mol. Its IUPAC name is 3-phenyl-4-oxa-2,6-diazabicyclo[3.2.0]hept-2-en-7-one.

Molecular Properties

Compound Name3-phenyl-4-oxa-2,6-diazabicyclo[3.2.0]hept-2-en-7-one
PubChem CID13276950
Molecular FormulaC10H8N2O2
Molecular Weight188.19 g/mol
Exact Mass188.06
IUPAC Name3-phenyl-4-oxa-2,6-diazabicyclo[3.2.0]hept-2-en-7-one
SMILESO=C1NC2OC(c3ccccc3)=NC12
InChIInChI=1S/C10H8N2O2/c13-8-7-10(12-8)14-9(11-7)6-4-2-1-3-5-6/h1-5,7,10H,(H,12,13)
InChIKeyQNNNADMVQUMBHA-UHFFFAOYSA-N
XLogP0.29
TPSA50.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.19
LogP ≤ 50.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-phenyl-4-oxa-2,6-diazabicyclo[3.2.0]hept-2-en-7-one?
The IUPAC name of 3-phenyl-4-oxa-2,6-diazabicyclo[3.2.0]hept-2-en-7-one (CID 13276950) is 3-phenyl-4-oxa-2,6-diazabicyclo[3.2.0]hept-2-en-7-one.
What is the SMILES notation for 3-phenyl-4-oxa-2,6-diazabicyclo[3.2.0]hept-2-en-7-one?
The canonical SMILES for 3-phenyl-4-oxa-2,6-diazabicyclo[3.2.0]hept-2-en-7-one is O=C1NC2OC(c3ccccc3)=NC12.
What is the InChIKey of 3-phenyl-4-oxa-2,6-diazabicyclo[3.2.0]hept-2-en-7-one?
The InChIKey is QNNNADMVQUMBHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8N2O2/c13-8-7-10(12-8)14-9(11-7)6-4-2-1-3-5-6/h1-5,7,10H,(H,12,13).
What are the key properties of 3-phenyl-4-oxa-2,6-diazabicyclo[3.2.0]hept-2-en-7-one?
3-phenyl-4-oxa-2,6-diazabicyclo[3.2.0]hept-2-en-7-one has a molecular weight of 188.19 g/mol, XLogP of 0.29, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-phenyl-4-oxa-2,6-diazabicyclo[3.2.0]hept-2-en-7-one is sourced from PubChem (CID 13276950), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).