3-methyl-6-phenyl-3,4-dihydro-2,5-benzoxazocin-1-one

C17H15NO2 — CID 2806512

IUPAC3-methyl-6-phenyl-3,4-dihydro-2,5-benzoxazocin-1-one
SMILESCC1C/N=C(/c2ccccc2)c2ccccc2C(=O)O1
InChIInChI=1S/C17H15NO2/c1-12-11-18-16(13-7-3-2-4-8-13)14-9-5-6-10-15(14)17(19)20-12/h2-10,12H,11H2,1H3/b18-16-
InChIKeyKWOOIIYUJFUFPY-VLGSPTGOSA-N
MW265.31 g/mol
LogP3.08
Rot. Bonds1

About 3-methyl-6-phenyl-3,4-dihydro-2,5-benzoxazocin-1-one

3-methyl-6-phenyl-3,4-dihydro-2,5-benzoxazocin-1-one (PubChem CID 2806512) has the molecular formula C17H15NO2 and a molecular weight of 265.31 g/mol. Its IUPAC name is 3-methyl-6-phenyl-3,4-dihydro-2,5-benzoxazocin-1-one.

Molecular Properties

Compound Name3-methyl-6-phenyl-3,4-dihydro-2,5-benzoxazocin-1-one
PubChem CID2806512
Molecular FormulaC17H15NO2
Molecular Weight265.31 g/mol
Exact Mass265.11
IUPAC Name3-methyl-6-phenyl-3,4-dihydro-2,5-benzoxazocin-1-one
SMILESCC1C/N=C(/c2ccccc2)c2ccccc2C(=O)O1
InChIInChI=1S/C17H15NO2/c1-12-11-18-16(13-7-3-2-4-8-13)14-9-5-6-10-15(14)17(19)20-12/h2-10,12H,11H2,1H3/b18-16-
InChIKeyKWOOIIYUJFUFPY-VLGSPTGOSA-N
XLogP3.08
TPSA38.66 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.31
LogP ≤ 53.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-6-phenyl-3,4-dihydro-2,5-benzoxazocin-1-one?
The IUPAC name of 3-methyl-6-phenyl-3,4-dihydro-2,5-benzoxazocin-1-one (CID 2806512) is 3-methyl-6-phenyl-3,4-dihydro-2,5-benzoxazocin-1-one.
What is the SMILES notation for 3-methyl-6-phenyl-3,4-dihydro-2,5-benzoxazocin-1-one?
The canonical SMILES for 3-methyl-6-phenyl-3,4-dihydro-2,5-benzoxazocin-1-one is CC1C/N=C(/c2ccccc2)c2ccccc2C(=O)O1.
What is the InChIKey of 3-methyl-6-phenyl-3,4-dihydro-2,5-benzoxazocin-1-one?
The InChIKey is KWOOIIYUJFUFPY-VLGSPTGOSA-N. The full InChI is InChI=1S/C17H15NO2/c1-12-11-18-16(13-7-3-2-4-8-13)14-9-5-6-10-15(14)17(19)20-12/h2-10,12H,11H2,1H3/b18-16-.
What are the key properties of 3-methyl-6-phenyl-3,4-dihydro-2,5-benzoxazocin-1-one?
3-methyl-6-phenyl-3,4-dihydro-2,5-benzoxazocin-1-one has a molecular weight of 265.31 g/mol, XLogP of 3.08, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-6-phenyl-3,4-dihydro-2,5-benzoxazocin-1-one is sourced from PubChem (CID 2806512), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).