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

C8H8N2O — CID 22177461

IUPAC2H-1,2-benzoxazin-3-amine
SMILESNC1=Cc2ccccc2ON1
InChIInChI=1S/C8H8N2O/c9-8-5-6-3-1-2-4-7(6)11-10-8/h1-5,10H,9H2
InChIKeyIZDNNHOZVXRIGA-UHFFFAOYSA-N
MW148.16 g/mol
LogP0.84
Rot. Bonds

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

2H-1,2-benzoxazin-3-amine (PubChem CID 22177461) has the molecular formula C8H8N2O and a molecular weight of 148.16 g/mol. Its IUPAC name is 2H-1,2-benzoxazin-3-amine.

Molecular Properties

Compound Name2H-1,2-benzoxazin-3-amine
PubChem CID22177461
Molecular FormulaC8H8N2O
Molecular Weight148.16 g/mol
Exact Mass148.06
IUPAC Name2H-1,2-benzoxazin-3-amine
SMILESNC1=Cc2ccccc2ON1
InChIInChI=1S/C8H8N2O/c9-8-5-6-3-1-2-4-7(6)11-10-8/h1-5,10H,9H2
InChIKeyIZDNNHOZVXRIGA-UHFFFAOYSA-N
XLogP0.84
TPSA47.28 Ų
H-Bond Donors2
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 ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2H-1,2-benzoxazin-3-amine?
The IUPAC name of 2H-1,2-benzoxazin-3-amine (CID 22177461) is 2H-1,2-benzoxazin-3-amine.
What is the SMILES notation for 2H-1,2-benzoxazin-3-amine?
The canonical SMILES for 2H-1,2-benzoxazin-3-amine is NC1=Cc2ccccc2ON1.
What is the InChIKey of 2H-1,2-benzoxazin-3-amine?
The InChIKey is IZDNNHOZVXRIGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8N2O/c9-8-5-6-3-1-2-4-7(6)11-10-8/h1-5,10H,9H2.
What are the key properties of 2H-1,2-benzoxazin-3-amine?
2H-1,2-benzoxazin-3-amine has a molecular weight of 148.16 g/mol, XLogP of 0.84, 0 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2H-1,2-benzoxazin-3-amine is sourced from PubChem (CID 22177461), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).