3-amino-2H-1,4-benzoxazin-7-ol

C8H8N2O2 — CID 115012899

IUPAC3-amino-2H-1,4-benzoxazin-7-ol
SMILESNC1=Nc2ccc(O)cc2OC1
InChIInChI=1S/C8H8N2O2/c9-8-4-12-7-3-5(11)1-2-6(7)10-8/h1-3,11H,4H2,(H2,9,10)
InChIKeyBOVSKHHSVVSRKT-UHFFFAOYSA-N
MW164.16 g/mol
LogP0.77
Rot. Bonds

About 3-amino-2H-1,4-benzoxazin-7-ol

3-amino-2H-1,4-benzoxazin-7-ol (PubChem CID 115012899) has the molecular formula C8H8N2O2 and a molecular weight of 164.16 g/mol. Its IUPAC name is 3-amino-2H-1,4-benzoxazin-7-ol.

Molecular Properties

Compound Name3-amino-2H-1,4-benzoxazin-7-ol
PubChem CID115012899
Molecular FormulaC8H8N2O2
Molecular Weight164.16 g/mol
Exact Mass164.06
IUPAC Name3-amino-2H-1,4-benzoxazin-7-ol
SMILESNC1=Nc2ccc(O)cc2OC1
InChIInChI=1S/C8H8N2O2/c9-8-4-12-7-3-5(11)1-2-6(7)10-8/h1-3,11H,4H2,(H2,9,10)
InChIKeyBOVSKHHSVVSRKT-UHFFFAOYSA-N
XLogP0.77
TPSA67.84 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500164.16
LogP ≤ 50.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-N,3-N-dimethyl-2H-1,4-benzoxazine-3,7-diamine
CID 82368226
methyl N-(3-amino-2H-1,4-benzoxazin-7-yl)carbamate
CID 13027362
ethyl 3-amino-2H-1,4-benzoxazine-7-carboxylate
CID 12873422
3-pyrrolidin-1-yl-2H-1,4-benzoxazin-6-ol
CID 115030561
6-hydroxy-1-benzofuran-3-one;trifluoromethanesulfonic acid
CID 158823032
1,3-benzodioxol-5-ol;methane
CID 68940822
1,3-benzodioxol-5-ol;formic acid
CID 22468167
3-N,3-N-bis(2-methoxyethyl)-2H-1,4-benzoxazine-3,6-diamine
CID 82368065
2,5,8,15,18,21-hexaoxatricyclo[20.4.0.09,14]hexacosa-1(22),9(14),10,12,23,25-hexaene-11,24-diol
CID 13273773
acetic acid;2,3-dihydro-1,4-benzodioxin-6-ol
CID 71404632
3-N-(3-chloro-4-fluorophenyl)-2H-1,4-benzoxazine-3,7-diamine
CID 82368442
8-hydroxy-3,4-dihydro-2H-1,4-benzoxazepin-5-one
CID 59403478

Frequently Asked Questions

What is the IUPAC name of 3-amino-2H-1,4-benzoxazin-7-ol?
The IUPAC name of 3-amino-2H-1,4-benzoxazin-7-ol (CID 115012899) is 3-amino-2H-1,4-benzoxazin-7-ol.
What is the SMILES notation for 3-amino-2H-1,4-benzoxazin-7-ol?
The canonical SMILES for 3-amino-2H-1,4-benzoxazin-7-ol is NC1=Nc2ccc(O)cc2OC1.
What is the InChIKey of 3-amino-2H-1,4-benzoxazin-7-ol?
The InChIKey is BOVSKHHSVVSRKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8N2O2/c9-8-4-12-7-3-5(11)1-2-6(7)10-8/h1-3,11H,4H2,(H2,9,10).
What are the key properties of 3-amino-2H-1,4-benzoxazin-7-ol?
3-amino-2H-1,4-benzoxazin-7-ol has a molecular weight of 164.16 g/mol, XLogP of 0.77, 0 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-2H-1,4-benzoxazin-7-ol is sourced from PubChem (CID 115012899), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).