2H-1,3-benzoxazine

C8H7NO — CID 2762566

IUPAC2H-1,3-benzoxazine
SMILESC1=NCOc2ccccc21
InChIInChI=1S/C8H7NO/c1-2-4-8-7(3-1)5-9-6-10-8/h1-5H,6H2
InChIKeyCGACGSHTSCXSSO-UHFFFAOYSA-N
MW133.15 g/mol
LogP1.46
Rot. Bonds

About 2H-1,3-benzoxazine

2H-1,3-benzoxazine (PubChem CID 2762566) has the molecular formula C8H7NO and a molecular weight of 133.15 g/mol. Its IUPAC name is 2H-1,3-benzoxazine.

Molecular Properties

Compound Name2H-1,3-benzoxazine
PubChem CID2762566
Molecular FormulaC8H7NO
Molecular Weight133.15 g/mol
Exact Mass133.05
IUPAC Name2H-1,3-benzoxazine
SMILESC1=NCOc2ccccc21
InChIInChI=1S/C8H7NO/c1-2-4-8-7(3-1)5-9-6-10-8/h1-5H,6H2
InChIKeyCGACGSHTSCXSSO-UHFFFAOYSA-N
XLogP1.46
TPSA21.59 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500133.15
LogP ≤ 51.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

CID 5371961
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CID 6861468
CID 6861468
CID 5371924
CID 5371924
CID 9575478
CID 9575478
CID 94712
CID 94712
CID 6867701
CID 6867701
CID 9576159
CID 9576159
CID 602084
CID 602084
CID 274045
CID 274045
CID 9581589
CID 9581589
CID 224431
CID 224431
CID 9603367
CID 9603367

Frequently Asked Questions

What is the IUPAC name of 2H-1,3-benzoxazine?
The IUPAC name of 2H-1,3-benzoxazine (CID 2762566) is 2H-1,3-benzoxazine.
What is the SMILES notation for 2H-1,3-benzoxazine?
The canonical SMILES for 2H-1,3-benzoxazine is C1=NCOc2ccccc21.
What is the InChIKey of 2H-1,3-benzoxazine?
The InChIKey is CGACGSHTSCXSSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7NO/c1-2-4-8-7(3-1)5-9-6-10-8/h1-5H,6H2.
What are the key properties of 2H-1,3-benzoxazine?
2H-1,3-benzoxazine has a molecular weight of 133.15 g/mol, XLogP of 1.46, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2H-1,3-benzoxazine is sourced from PubChem (CID 2762566), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).