2-(8-amino-2-methyl-3-oxo-1,4-benzoxazin-4-yl)acetohydrazide

C11H14N4O3 — CID 82018879

IUPAC2-(8-amino-2-methyl-3-oxo-1,4-benzoxazin-4-yl)acetohydrazide
SMILESCC1Oc2c(N)cccc2N(CC(=O)NN)C1=O
InChIInChI=1S/C11H14N4O3/c1-6-11(17)15(5-9(16)14-13)8-4-2-3-7(12)10(8)18-6/h2-4,6H,5,12-13H2,1H3,(H,14,16)
InChIKeyZVRJXDUJCFDCHY-UHFFFAOYSA-N
MW250.26 g/mol
LogP-0.63
Rot. Bonds2

About 2-(8-amino-2-methyl-3-oxo-1,4-benzoxazin-4-yl)acetohydrazide

2-(8-amino-2-methyl-3-oxo-1,4-benzoxazin-4-yl)acetohydrazide (PubChem CID 82018879) has the molecular formula C11H14N4O3 and a molecular weight of 250.26 g/mol. Its IUPAC name is 2-(8-amino-2-methyl-3-oxo-1,4-benzoxazin-4-yl)acetohydrazide.

Molecular Properties

Compound Name2-(8-amino-2-methyl-3-oxo-1,4-benzoxazin-4-yl)acetohydrazide
PubChem CID82018879
Molecular FormulaC11H14N4O3
Molecular Weight250.26 g/mol
Exact Mass250.11
IUPAC Name2-(8-amino-2-methyl-3-oxo-1,4-benzoxazin-4-yl)acetohydrazide
SMILESCC1Oc2c(N)cccc2N(CC(=O)NN)C1=O
InChIInChI=1S/C11H14N4O3/c1-6-11(17)15(5-9(16)14-13)8-4-2-3-7(12)10(8)18-6/h2-4,6H,5,12-13H2,1H3,(H,14,16)
InChIKeyZVRJXDUJCFDCHY-UHFFFAOYSA-N
XLogP-0.63
TPSA110.68 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.26
LogP ≤ 5-0.63
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyl_hydrazine', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

8-amino-2-methyl-4-(2-methylprop-2-enyl)-1,4-benzoxazin-3-one
CID 82018886
2-[(2R)-2-methyl-3-oxo-1,4-benzoxazin-4-yl]acetohydrazide
CID 28520009
2-(5-amino-2-methyl-3-oxo-1,4-benzoxazin-4-yl)acetohydrazide
CID 82345925
2-[6-(hydroxymethyl)-2-methyl-3-oxo-1,4-benzoxazin-4-yl]acetohydrazide
CID 82338257
2-[(2R)-2-methyl-3-oxo-1,4-benzoxazin-4-yl]-N-propan-2-ylacetamide
CID 7437484
8-amino-2-methyl-4-propan-2-yl-1,4-benzoxazin-3-one
CID 82018881
N-[(2S)-butan-2-yl]-2-[(2S)-2-methyl-3-oxo-1,4-benzoxazin-4-yl]acetamide
CID 28522105
N-(dicyclopropylmethyl)-2-[(2S)-2-methyl-3-oxo-1,4-benzoxazin-4-yl]acetamide
CID 30263890
N-(dicyclopropylmethyl)-2-(2-methyl-3-oxo-1,4-benzoxazin-4-yl)acetamide
CID 24620792
N-[(2R)-4-(furan-2-yl)butan-2-yl]-2-[(2S)-2-methyl-3-oxo-1,4-benzoxazin-4-yl]acetamide
CID 51648652
2-[[2-(2-methyl-3-oxo-1,4-benzoxazin-4-yl)acetyl]amino]benzamide
CID 23409985
N'-methyl-2-(2-methyl-3-oxo-1,4-benzoxazin-4-yl)-N'-phenylacetohydrazide
CID 18132260

Frequently Asked Questions

What is the IUPAC name of 2-(8-amino-2-methyl-3-oxo-1,4-benzoxazin-4-yl)acetohydrazide?
The IUPAC name of 2-(8-amino-2-methyl-3-oxo-1,4-benzoxazin-4-yl)acetohydrazide (CID 82018879) is 2-(8-amino-2-methyl-3-oxo-1,4-benzoxazin-4-yl)acetohydrazide.
What is the SMILES notation for 2-(8-amino-2-methyl-3-oxo-1,4-benzoxazin-4-yl)acetohydrazide?
The canonical SMILES for 2-(8-amino-2-methyl-3-oxo-1,4-benzoxazin-4-yl)acetohydrazide is CC1Oc2c(N)cccc2N(CC(=O)NN)C1=O.
What is the InChIKey of 2-(8-amino-2-methyl-3-oxo-1,4-benzoxazin-4-yl)acetohydrazide?
The InChIKey is ZVRJXDUJCFDCHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N4O3/c1-6-11(17)15(5-9(16)14-13)8-4-2-3-7(12)10(8)18-6/h2-4,6H,5,12-13H2,1H3,(H,14,16).
What are the key properties of 2-(8-amino-2-methyl-3-oxo-1,4-benzoxazin-4-yl)acetohydrazide?
2-(8-amino-2-methyl-3-oxo-1,4-benzoxazin-4-yl)acetohydrazide has a molecular weight of 250.26 g/mol, XLogP of -0.63, 2 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(8-amino-2-methyl-3-oxo-1,4-benzoxazin-4-yl)acetohydrazide is sourced from PubChem (CID 82018879), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).