2-[(2R)-2-methyl-3-oxo-1,4-benzoxazin-4-yl]acetohydrazide

C11H13N3O3 — CID 28520009

IUPAC2-[(2R)-2-methyl-3-oxo-1,4-benzoxazin-4-yl]acetohydrazide
SMILESC[C@H]1Oc2ccccc2N(CC(=O)NN)C1=O
InChIInChI=1S/C11H13N3O3/c1-7-11(16)14(6-10(15)13-12)8-4-2-3-5-9(8)17-7/h2-5,7H,6,12H2,1H3,(H,13,15)/t7-/m1/s1
InChIKeyOKVANBJGPODAQP-SSDOTTSWSA-N
MW235.24 g/mol
LogP-0.21
Rot. Bonds2

About 2-[(2R)-2-methyl-3-oxo-1,4-benzoxazin-4-yl]acetohydrazide

2-[(2R)-2-methyl-3-oxo-1,4-benzoxazin-4-yl]acetohydrazide (PubChem CID 28520009) has the molecular formula C11H13N3O3 and a molecular weight of 235.24 g/mol. Its IUPAC name is 2-[(2R)-2-methyl-3-oxo-1,4-benzoxazin-4-yl]acetohydrazide.

Molecular Properties

Compound Name2-[(2R)-2-methyl-3-oxo-1,4-benzoxazin-4-yl]acetohydrazide
PubChem CID28520009
Molecular FormulaC11H13N3O3
Molecular Weight235.24 g/mol
Exact Mass235.10
IUPAC Name2-[(2R)-2-methyl-3-oxo-1,4-benzoxazin-4-yl]acetohydrazide
SMILESC[C@H]1Oc2ccccc2N(CC(=O)NN)C1=O
InChIInChI=1S/C11H13N3O3/c1-7-11(16)14(6-10(15)13-12)8-4-2-3-5-9(8)17-7/h2-5,7H,6,12H2,1H3,(H,13,15)/t7-/m1/s1
InChIKeyOKVANBJGPODAQP-SSDOTTSWSA-N
XLogP-0.21
TPSA84.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.24
LogP ≤ 5-0.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-[(2R)-2-methyl-3-oxo-1,4-benzoxazin-4-yl]-N-propan-2-ylacetamide
CID 7437484
2-[6-(hydroxymethyl)-2-methyl-3-oxo-1,4-benzoxazin-4-yl]acetohydrazide
CID 82338257
2-(5-amino-2-methyl-3-oxo-1,4-benzoxazin-4-yl)acetohydrazide
CID 82345925
2-(8-amino-2-methyl-3-oxo-1,4-benzoxazin-4-yl)acetohydrazide
CID 82018879
N'-methyl-2-(2-methyl-3-oxo-1,4-benzoxazin-4-yl)-N'-phenylacetohydrazide
CID 18132260
N-butyl-2-(2-methyl-3-oxo-1,4-benzoxazin-4-yl)acetamide
CID 18132070
2-[[2-(2-methyl-3-oxo-1,4-benzoxazin-4-yl)acetyl]amino]benzamide
CID 23409985
N-[2-(methylamino)ethyl]-2-(2-methyl-3-oxo-1,4-benzoxazin-4-yl)acetamide;hydrochloride
CID 119502456
2-[(2R)-2-methyl-3-oxo-1,4-benzoxazin-4-yl]-N-prop-2-enylacetamide
CID 7437477
N-[(2S)-butan-2-yl]-2-[(2S)-2-methyl-3-oxo-1,4-benzoxazin-4-yl]acetamide
CID 28522105
N,N-dimethyl-2-[(2S)-2-methyl-3-oxo-1,4-benzoxazin-4-yl]acetamide
CID 95051578
2-methyl-4-(2-oxobutyl)-1,4-benzoxazin-3-one
CID 62038277

Frequently Asked Questions

What is the IUPAC name of 2-[(2R)-2-methyl-3-oxo-1,4-benzoxazin-4-yl]acetohydrazide?
The IUPAC name of 2-[(2R)-2-methyl-3-oxo-1,4-benzoxazin-4-yl]acetohydrazide (CID 28520009) is 2-[(2R)-2-methyl-3-oxo-1,4-benzoxazin-4-yl]acetohydrazide.
What is the SMILES notation for 2-[(2R)-2-methyl-3-oxo-1,4-benzoxazin-4-yl]acetohydrazide?
The canonical SMILES for 2-[(2R)-2-methyl-3-oxo-1,4-benzoxazin-4-yl]acetohydrazide is C[C@H]1Oc2ccccc2N(CC(=O)NN)C1=O.
What is the InChIKey of 2-[(2R)-2-methyl-3-oxo-1,4-benzoxazin-4-yl]acetohydrazide?
The InChIKey is OKVANBJGPODAQP-SSDOTTSWSA-N. The full InChI is InChI=1S/C11H13N3O3/c1-7-11(16)14(6-10(15)13-12)8-4-2-3-5-9(8)17-7/h2-5,7H,6,12H2,1H3,(H,13,15)/t7-/m1/s1.
What are the key properties of 2-[(2R)-2-methyl-3-oxo-1,4-benzoxazin-4-yl]acetohydrazide?
2-[(2R)-2-methyl-3-oxo-1,4-benzoxazin-4-yl]acetohydrazide has a molecular weight of 235.24 g/mol, XLogP of -0.21, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2R)-2-methyl-3-oxo-1,4-benzoxazin-4-yl]acetohydrazide is sourced from PubChem (CID 28520009), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).