2-phenyl-6,7,9,9a-tetrahydro-[1,4]oxazino[3,4-b][1,3]oxazin-4-one

C13H13NO3 — CID 101120475

IUPAC2-phenyl-6,7,9,9a-tetrahydro-[1,4]oxazino[3,4-b][1,3]oxazin-4-one
SMILESO=C1C=C(c2ccccc2)OC2COCCN12
InChIInChI=1S/C13H13NO3/c15-12-8-11(10-4-2-1-3-5-10)17-13-9-16-7-6-14(12)13/h1-5,8,13H,6-7,9H2
InChIKeyLGJOXPLSQQYZJV-UHFFFAOYSA-N
MW231.25 g/mol
LogP1.24
Rot. Bonds1

About 2-phenyl-6,7,9,9a-tetrahydro-[1,4]oxazino[3,4-b][1,3]oxazin-4-one

2-phenyl-6,7,9,9a-tetrahydro-[1,4]oxazino[3,4-b][1,3]oxazin-4-one (PubChem CID 101120475) has the molecular formula C13H13NO3 and a molecular weight of 231.25 g/mol. Its IUPAC name is 2-phenyl-6,7,9,9a-tetrahydro-[1,4]oxazino[3,4-b][1,3]oxazin-4-one.

Molecular Properties

Compound Name2-phenyl-6,7,9,9a-tetrahydro-[1,4]oxazino[3,4-b][1,3]oxazin-4-one
PubChem CID101120475
Molecular FormulaC13H13NO3
Molecular Weight231.25 g/mol
Exact Mass231.09
IUPAC Name2-phenyl-6,7,9,9a-tetrahydro-[1,4]oxazino[3,4-b][1,3]oxazin-4-one
SMILESO=C1C=C(c2ccccc2)OC2COCCN12
InChIInChI=1S/C13H13NO3/c15-12-8-11(10-4-2-1-3-5-10)17-13-9-16-7-6-14(12)13/h1-5,8,13H,6-7,9H2
InChIKeyLGJOXPLSQQYZJV-UHFFFAOYSA-N
XLogP1.24
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.25
LogP ≤ 51.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-phenyl-6,7,9,9a-tetrahydro-[1,4]oxazino[3,4-b][1,3]oxazin-4-one?
The IUPAC name of 2-phenyl-6,7,9,9a-tetrahydro-[1,4]oxazino[3,4-b][1,3]oxazin-4-one (CID 101120475) is 2-phenyl-6,7,9,9a-tetrahydro-[1,4]oxazino[3,4-b][1,3]oxazin-4-one.
What is the SMILES notation for 2-phenyl-6,7,9,9a-tetrahydro-[1,4]oxazino[3,4-b][1,3]oxazin-4-one?
The canonical SMILES for 2-phenyl-6,7,9,9a-tetrahydro-[1,4]oxazino[3,4-b][1,3]oxazin-4-one is O=C1C=C(c2ccccc2)OC2COCCN12.
What is the InChIKey of 2-phenyl-6,7,9,9a-tetrahydro-[1,4]oxazino[3,4-b][1,3]oxazin-4-one?
The InChIKey is LGJOXPLSQQYZJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13NO3/c15-12-8-11(10-4-2-1-3-5-10)17-13-9-16-7-6-14(12)13/h1-5,8,13H,6-7,9H2.
What are the key properties of 2-phenyl-6,7,9,9a-tetrahydro-[1,4]oxazino[3,4-b][1,3]oxazin-4-one?
2-phenyl-6,7,9,9a-tetrahydro-[1,4]oxazino[3,4-b][1,3]oxazin-4-one has a molecular weight of 231.25 g/mol, XLogP of 1.24, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenyl-6,7,9,9a-tetrahydro-[1,4]oxazino[3,4-b][1,3]oxazin-4-one is sourced from PubChem (CID 101120475), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).