1H-2,3-benzoxazin-4-amine

C8H8N2O — CID 10313216

IUPAC1H-2,3-benzoxazin-4-amine
SMILESNC1=NOCc2ccccc21
InChIInChI=1S/C8H8N2O/c9-8-7-4-2-1-3-6(7)5-11-10-8/h1-4H,5H2,(H2,9,10)
InChIKeyMXXDVTPVSQJSJW-UHFFFAOYSA-N
MW148.16 g/mol
LogP0.84
Rot. Bonds

About 1H-2,3-benzoxazin-4-amine

1H-2,3-benzoxazin-4-amine (PubChem CID 10313216) has the molecular formula C8H8N2O and a molecular weight of 148.16 g/mol. Its IUPAC name is 1H-2,3-benzoxazin-4-amine.

Molecular Properties

Compound Name1H-2,3-benzoxazin-4-amine
PubChem CID10313216
Molecular FormulaC8H8N2O
Molecular Weight148.16 g/mol
Exact Mass148.06
IUPAC Name1H-2,3-benzoxazin-4-amine
SMILESNC1=NOCc2ccccc21
InChIInChI=1S/C8H8N2O/c9-8-7-4-2-1-3-6(7)5-11-10-8/h1-4H,5H2,(H2,9,10)
InChIKeyMXXDVTPVSQJSJW-UHFFFAOYSA-N
XLogP0.84
TPSA47.61 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500148.16
LogP ≤ 50.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1H-2,3-benzoxazin-4-amine?
The IUPAC name of 1H-2,3-benzoxazin-4-amine (CID 10313216) is 1H-2,3-benzoxazin-4-amine.
What is the SMILES notation for 1H-2,3-benzoxazin-4-amine?
The canonical SMILES for 1H-2,3-benzoxazin-4-amine is NC1=NOCc2ccccc21.
What is the InChIKey of 1H-2,3-benzoxazin-4-amine?
The InChIKey is MXXDVTPVSQJSJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8N2O/c9-8-7-4-2-1-3-6(7)5-11-10-8/h1-4H,5H2,(H2,9,10).
What are the key properties of 1H-2,3-benzoxazin-4-amine?
1H-2,3-benzoxazin-4-amine has a molecular weight of 148.16 g/mol, XLogP of 0.84, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1H-2,3-benzoxazin-4-amine is sourced from PubChem (CID 10313216), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).