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

C9H10N2O2 — CID 6483753

IUPAC6-amino-2-methyl-4H-1,4-benzoxazin-3-one
SMILESCC1Oc2ccc(N)cc2NC1=O
InChIInChI=1S/C9H10N2O2/c1-5-9(12)11-7-4-6(10)2-3-8(7)13-5/h2-5H,10H2,1H3,(H,11,12)
InChIKeySUYYYBBFOLGROC-UHFFFAOYSA-N
MW178.19 g/mol
LogP0.99
Rot. Bonds

About 6-amino-2-methyl-4H-1,4-benzoxazin-3-one

6-amino-2-methyl-4H-1,4-benzoxazin-3-one (PubChem CID 6483753) has the molecular formula C9H10N2O2 and a molecular weight of 178.19 g/mol. Its IUPAC name is 6-amino-2-methyl-4H-1,4-benzoxazin-3-one.

Molecular Properties

Compound Name6-amino-2-methyl-4H-1,4-benzoxazin-3-one
PubChem CID6483753
Molecular FormulaC9H10N2O2
Molecular Weight178.19 g/mol
Exact Mass178.07
IUPAC Name6-amino-2-methyl-4H-1,4-benzoxazin-3-one
SMILESCC1Oc2ccc(N)cc2NC1=O
InChIInChI=1S/C9H10N2O2/c1-5-9(12)11-7-4-6(10)2-3-8(7)13-5/h2-5H,10H2,1H3,(H,11,12)
InChIKeySUYYYBBFOLGROC-UHFFFAOYSA-N
XLogP0.99
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.19
LogP ≤ 50.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

N-(3-amino-4-ethoxyphenyl)acetamide
CID 28207
2-Hydroxy-1,4-benzoxazin-3-one
CID 322636
3'-Nitro-p-acetophenetidide
CID 15685
3'-Amino-4'-methoxyacetanilide
CID 80779
o-Ethoxyacetanilide
CID 11383
6-amino-7-fluoro-4-(prop-2-yn-1-yl)-3,4-dihydro-2H-1,4-benzoxazin-3-one
CID 11160323
3,4-Dihydro-2H-1,4-benzoxazine-2-carboxamide
CID 26120
5'-Nitro-2'-propoxyacetanilide
CID 68377
2H-1,4-benzoxazin-3(4H)-one
CID 72757
8-((6,6-dimethylhepta-2,4-diyn-1-yl)(methyl)amino)-3,4-dihydro-2H-1,4-benzoxazin-3-one
CID 102008720
2H-1,4-Benzoxazin-3(4H)-one, 4-hydroxy-
CID 69865
1,4-Benzoxazine-2,3-dione
CID 77148

Frequently Asked Questions

What is the IUPAC name of 6-amino-2-methyl-4H-1,4-benzoxazin-3-one?
The IUPAC name of 6-amino-2-methyl-4H-1,4-benzoxazin-3-one (CID 6483753) is 6-amino-2-methyl-4H-1,4-benzoxazin-3-one.
What is the SMILES notation for 6-amino-2-methyl-4H-1,4-benzoxazin-3-one?
The canonical SMILES for 6-amino-2-methyl-4H-1,4-benzoxazin-3-one is CC1Oc2ccc(N)cc2NC1=O.
What is the InChIKey of 6-amino-2-methyl-4H-1,4-benzoxazin-3-one?
The InChIKey is SUYYYBBFOLGROC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10N2O2/c1-5-9(12)11-7-4-6(10)2-3-8(7)13-5/h2-5H,10H2,1H3,(H,11,12).
What are the key properties of 6-amino-2-methyl-4H-1,4-benzoxazin-3-one?
6-amino-2-methyl-4H-1,4-benzoxazin-3-one has a molecular weight of 178.19 g/mol, XLogP of 0.99, 0 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-2-methyl-4H-1,4-benzoxazin-3-one is sourced from PubChem (CID 6483753), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).