2-amino-4H-1,4-benzoxazin-3-one

C8H8N2O2 — CID 10607101

IUPAC2-amino-4H-1,4-benzoxazin-3-one
SMILESNC1Oc2ccccc2NC1=O
InChIInChI=1S/C8H8N2O2/c9-7-8(11)10-5-3-1-2-4-6(5)12-7/h1-4,7H,9H2,(H,10,11)
InChIKeyXBQHCNKYJPLTBS-UHFFFAOYSA-N
MW164.16 g/mol
LogP0.30
Rot. Bonds

About 2-amino-4H-1,4-benzoxazin-3-one

2-amino-4H-1,4-benzoxazin-3-one (PubChem CID 10607101) has the molecular formula C8H8N2O2 and a molecular weight of 164.16 g/mol. Its IUPAC name is 2-amino-4H-1,4-benzoxazin-3-one.

Molecular Properties

Compound Name2-amino-4H-1,4-benzoxazin-3-one
PubChem CID10607101
Molecular FormulaC8H8N2O2
Molecular Weight164.16 g/mol
Exact Mass164.06
IUPAC Name2-amino-4H-1,4-benzoxazin-3-one
SMILESNC1Oc2ccccc2NC1=O
InChIInChI=1S/C8H8N2O2/c9-7-8(11)10-5-3-1-2-4-6(5)12-7/h1-4,7H,9H2,(H,10,11)
InChIKeyXBQHCNKYJPLTBS-UHFFFAOYSA-N
XLogP0.30
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500164.16
LogP ≤ 50.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-amino-4H-1,4-benzoxazin-3-one?
The IUPAC name of 2-amino-4H-1,4-benzoxazin-3-one (CID 10607101) is 2-amino-4H-1,4-benzoxazin-3-one.
What is the SMILES notation for 2-amino-4H-1,4-benzoxazin-3-one?
The canonical SMILES for 2-amino-4H-1,4-benzoxazin-3-one is NC1Oc2ccccc2NC1=O.
What is the InChIKey of 2-amino-4H-1,4-benzoxazin-3-one?
The InChIKey is XBQHCNKYJPLTBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8N2O2/c9-7-8(11)10-5-3-1-2-4-6(5)12-7/h1-4,7H,9H2,(H,10,11).
What are the key properties of 2-amino-4H-1,4-benzoxazin-3-one?
2-amino-4H-1,4-benzoxazin-3-one has a molecular weight of 164.16 g/mol, XLogP of 0.30, 0 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-4H-1,4-benzoxazin-3-one is sourced from PubChem (CID 10607101), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).