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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Related Compounds

4,9-dihydropyrrolo[3,4-h][1,4]benzoxazine
CID 175904431
phenanthrene;phosphane
CID 161431298
phenanthrene;sulfane
CID 159172584
12H-benzo[a]phenoxazine
CID 13409908
2,2-dimethyl-4,5-dihydro-3H-benzo[i][1,5]benzoxazepine
CID 113422620
14-oxapentacyclo[13.8.0.02,7.08,13.016,21]tricosa-1(15),2,4,6,8,10,12,16,18,20,22-undecaene
CID 171757612
4,4'-spirobi[3,5-dioxa-4-boranuidatricyclo[7.4.0.02,6]trideca-1(13),2(6),7,9,11-pentaene]
CID 58795481
2,14-diazapentacyclo[14.8.0.04,13.05,10.017,22]tetracosa-1(16),4(13),5,7,9,11,17,19,21,23-decaene-3,15-dione
CID 170859547
ethane;methane;phenanthrene
CID 144938954
chrysene;iron
CID 157379031
phenanthrene;phosphinous acid
CID 174826862
ethane;methane;phenanthrene
CID 144939263

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).