4H-benzo[h][1,4]benzoxazine

C12H9NO — CID 18365559

IUPAC4H-benzo[h][1,4]benzoxazine
SMILESC1=COc2c(ccc3ccccc23)N1
InChIInChI=1S/C12H9NO/c1-2-4-10-9(3-1)5-6-11-12(10)14-8-7-13-11/h1-8,13H
InChIKeyXCJGFLHSHZJXGK-UHFFFAOYSA-N
MW183.21 g/mol
LogP3.12
Rot. Bonds

About 4H-benzo[h][1,4]benzoxazine

4H-benzo[h][1,4]benzoxazine (PubChem CID 18365559) has the molecular formula C12H9NO and a molecular weight of 183.21 g/mol. Its IUPAC name is 4H-benzo[h][1,4]benzoxazine.

Molecular Properties

Compound Name4H-benzo[h][1,4]benzoxazine
PubChem CID18365559
Molecular FormulaC12H9NO
Molecular Weight183.21 g/mol
Exact Mass183.07
IUPAC Name4H-benzo[h][1,4]benzoxazine
SMILESC1=COc2c(ccc3ccccc23)N1
InChIInChI=1S/C12H9NO/c1-2-4-10-9(3-1)5-6-11-12(10)14-8-7-13-11/h1-8,13H
InChIKeyXCJGFLHSHZJXGK-UHFFFAOYSA-N
XLogP3.12
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.21
LogP ≤ 53.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4H-benzo[h][1,4]benzoxazine?
The IUPAC name of 4H-benzo[h][1,4]benzoxazine (CID 18365559) is 4H-benzo[h][1,4]benzoxazine.
What is the SMILES notation for 4H-benzo[h][1,4]benzoxazine?
The canonical SMILES for 4H-benzo[h][1,4]benzoxazine is C1=COc2c(ccc3ccccc23)N1.
What is the InChIKey of 4H-benzo[h][1,4]benzoxazine?
The InChIKey is XCJGFLHSHZJXGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9NO/c1-2-4-10-9(3-1)5-6-11-12(10)14-8-7-13-11/h1-8,13H.
What are the key properties of 4H-benzo[h][1,4]benzoxazine?
4H-benzo[h][1,4]benzoxazine has a molecular weight of 183.21 g/mol, XLogP of 3.12, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4H-benzo[h][1,4]benzoxazine is sourced from PubChem (CID 18365559), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).