2H-benzo[g][3,1]benzoxazine

C12H9NO — CID 139617827

IUPAC2H-benzo[g][3,1]benzoxazine
SMILESC1=c2cc3ccccc3cc2=NCO1
InChIInChI=1S/C12H9NO/c1-2-4-10-6-12-11(5-9(10)3-1)7-14-8-13-12/h1-7H,8H2
InChIKeyRJOAINOTWUPARS-UHFFFAOYSA-N
MW183.21 g/mol
LogP1.19
Rot. Bonds

About 2H-benzo[g][3,1]benzoxazine

2H-benzo[g][3,1]benzoxazine (PubChem CID 139617827) has the molecular formula C12H9NO and a molecular weight of 183.21 g/mol. Its IUPAC name is 2H-benzo[g][3,1]benzoxazine.

Molecular Properties

Compound Name2H-benzo[g][3,1]benzoxazine
PubChem CID139617827
Molecular FormulaC12H9NO
Molecular Weight183.21 g/mol
Exact Mass183.07
IUPAC Name2H-benzo[g][3,1]benzoxazine
SMILESC1=c2cc3ccccc3cc2=NCO1
InChIInChI=1S/C12H9NO/c1-2-4-10-6-12-11(5-9(10)3-1)7-14-8-13-12/h1-7H,8H2
InChIKeyRJOAINOTWUPARS-UHFFFAOYSA-N
XLogP1.19
TPSA21.59 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.21
LogP ≤ 51.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2H-3,1-Benzoxazine
CID 18354516
3,1-Benzoxazine-2-thione
CID 19806581
3,1-Benzoxazin-2-one
CID 22063086
3,1-Benzooxazine hydrochloride
CID 68804172
2-Amino-3,1-benzoxazine
CID 129648117
7-fluoro-8-methyl-2H-3,1-benzoxazine
CID 175783498
4-Propyl-3,1-benzoxazine
CID 129795649
3,1-Benzoxazine hydrobromide
CID 129814186
4-Vinyl-3,1-benzoxazine
CID 172994105
(4aZ,6E,10aZ,12Z)-6-methoxybenzo[c][1]benzazocine
CID 9562528
2-(trifluoromethyl)-2H-3,1-benzoxazine
CID 152292762
(6E,10aE,12Z)-6-methoxybenzo[c][1]benzazocine
CID 172025342

Frequently Asked Questions

What is the IUPAC name of 2H-benzo[g][3,1]benzoxazine?
The IUPAC name of 2H-benzo[g][3,1]benzoxazine (CID 139617827) is 2H-benzo[g][3,1]benzoxazine.
What is the SMILES notation for 2H-benzo[g][3,1]benzoxazine?
The canonical SMILES for 2H-benzo[g][3,1]benzoxazine is C1=c2cc3ccccc3cc2=NCO1.
What is the InChIKey of 2H-benzo[g][3,1]benzoxazine?
The InChIKey is RJOAINOTWUPARS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9NO/c1-2-4-10-6-12-11(5-9(10)3-1)7-14-8-13-12/h1-7H,8H2.
What are the key properties of 2H-benzo[g][3,1]benzoxazine?
2H-benzo[g][3,1]benzoxazine has a molecular weight of 183.21 g/mol, XLogP of 1.19, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2H-benzo[g][3,1]benzoxazine is sourced from PubChem (CID 139617827), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).