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

C9H8N2O2 — CID 11182936

IUPAC6-amino-4-methyl-2,3-benzoxazin-1-one
SMILESCc1noc(=O)c2ccc(N)cc12
InChIInChI=1S/C9H8N2O2/c1-5-8-4-6(10)2-3-7(8)9(12)13-11-5/h2-4H,10H2,1H3
InChIKeyJEONCVFTVUCPGE-UHFFFAOYSA-N
MW176.17 g/mol
LogP1.08
Rot. Bonds

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

6-amino-4-methyl-2,3-benzoxazin-1-one (PubChem CID 11182936) has the molecular formula C9H8N2O2 and a molecular weight of 176.17 g/mol. Its IUPAC name is 6-amino-4-methyl-2,3-benzoxazin-1-one.

Molecular Properties

Compound Name6-amino-4-methyl-2,3-benzoxazin-1-one
PubChem CID11182936
Molecular FormulaC9H8N2O2
Molecular Weight176.17 g/mol
Exact Mass176.06
IUPAC Name6-amino-4-methyl-2,3-benzoxazin-1-one
SMILESCc1noc(=O)c2ccc(N)cc12
InChIInChI=1S/C9H8N2O2/c1-5-8-4-6(10)2-3-7(8)9(12)13-11-5/h2-4H,10H2,1H3
InChIKeyJEONCVFTVUCPGE-UHFFFAOYSA-N
XLogP1.08
TPSA69.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500176.17
LogP ≤ 51.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

4-Amino-2-methylbenzoic acid
CID 241632
Methyl 4-amino-2-methylbenzoate
CID 11672721
5-Amino-biphenyl-2-carboxylic acid
CID 23207406
Tert-butyl 4-amino-2-methylbenzoate
CID 45089772
4-[2-(1-Phenylethylidene)hydrazinyl]benzoic acid
CID 4053593
4-Amino-2-ethylbenzoic acid
CID 17921342
Butyl-p-aminobenzoic acid
CID 19006138
Octyl p-aminobenzoic acid
CID 21538794
Ammonium-p-aminobenzoat
CID 21902961
4-((Z)-2-(1-phenylethylidene)hydrazinyl)benzoic acid
CID 5998689
4-Amino-3-fluoro-2-methylbenzoic acid
CID 53424155
4-Amino-2-ethyl-3-fluorobenzoic acid
CID 53430245

Frequently Asked Questions

What is the IUPAC name of 6-amino-4-methyl-2,3-benzoxazin-1-one?
The IUPAC name of 6-amino-4-methyl-2,3-benzoxazin-1-one (CID 11182936) is 6-amino-4-methyl-2,3-benzoxazin-1-one.
What is the SMILES notation for 6-amino-4-methyl-2,3-benzoxazin-1-one?
The canonical SMILES for 6-amino-4-methyl-2,3-benzoxazin-1-one is Cc1noc(=O)c2ccc(N)cc12.
What is the InChIKey of 6-amino-4-methyl-2,3-benzoxazin-1-one?
The InChIKey is JEONCVFTVUCPGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8N2O2/c1-5-8-4-6(10)2-3-7(8)9(12)13-11-5/h2-4H,10H2,1H3.
What are the key properties of 6-amino-4-methyl-2,3-benzoxazin-1-one?
6-amino-4-methyl-2,3-benzoxazin-1-one has a molecular weight of 176.17 g/mol, XLogP of 1.08, 0 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-4-methyl-2,3-benzoxazin-1-one is sourced from PubChem (CID 11182936), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).