2-(3-oxo-4H-1,4-benzoxazin-6-yl)acetohydrazide

C10H11N3O3 — CID 19002730

IUPAC2-(3-oxo-4H-1,4-benzoxazin-6-yl)acetohydrazide
SMILESNNC(=O)Cc1ccc2c(c1)NC(=O)CO2
InChIInChI=1S/C10H11N3O3/c11-13-9(14)4-6-1-2-8-7(3-6)12-10(15)5-16-8/h1-3H,4-5,11H2,(H,12,15)(H,13,14)
InChIKeyFJJNLPBJFYFYMU-UHFFFAOYSA-N
MW221.22 g/mol
LogP-0.45
Rot. Bonds2

About 2-(3-oxo-4H-1,4-benzoxazin-6-yl)acetohydrazide

2-(3-oxo-4H-1,4-benzoxazin-6-yl)acetohydrazide (PubChem CID 19002730) has the molecular formula C10H11N3O3 and a molecular weight of 221.22 g/mol. Its IUPAC name is 2-(3-oxo-4H-1,4-benzoxazin-6-yl)acetohydrazide.

Molecular Properties

Compound Name2-(3-oxo-4H-1,4-benzoxazin-6-yl)acetohydrazide
PubChem CID19002730
Molecular FormulaC10H11N3O3
Molecular Weight221.22 g/mol
Exact Mass221.08
IUPAC Name2-(3-oxo-4H-1,4-benzoxazin-6-yl)acetohydrazide
SMILESNNC(=O)Cc1ccc2c(c1)NC(=O)CO2
InChIInChI=1S/C10H11N3O3/c11-13-9(14)4-6-1-2-8-7(3-6)12-10(15)5-16-8/h1-3H,4-5,11H2,(H,12,15)(H,13,14)
InChIKeyFJJNLPBJFYFYMU-UHFFFAOYSA-N
XLogP-0.45
TPSA93.45 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.22
LogP ≤ 5-0.45
H-Bond Donors ≤ 53
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

6-(3-chloro-2-oxopropyl)-4H-1,4-benzoxazin-3-one
CID 140510759
2-(3-oxo-4H-1,4-benzoxazin-6-yl)-N-phenylacetamide
CID 110770297
4-[[2-(3-oxo-4H-1,4-benzoxazin-6-yl)acetyl]amino]benzamide
CID 110770344
N-(4-tert-butylphenyl)-2-(3-oxo-4H-1,4-benzoxazin-6-yl)acetamide
CID 110770318
N-(1-adamantyl)-2-(3-oxo-4H-1,4-benzoxazin-6-yl)acetamide
CID 59802856
6-(4-amino-2,2-dimethylbutyl)-4H-1,4-benzoxazin-3-one
CID 116925145
6-(2-oxo-2-piperidin-1-ylethyl)-4H-1,4-benzoxazin-3-one
CID 59802876
2,2-dimethyl-N-[(3-oxo-4H-1,4-benzoxazin-6-yl)methyl]propanamide
CID 110738388
N-[(3-oxo-4H-1,4-benzoxazin-6-yl)methyl]-2-pyridin-4-ylacetamide
CID 59802771
6-(chloromethyl)-4H-1,4-benzoxazin-3-one
CID 43121482
N-[(3-methylphenyl)methyl]-2-(3-oxo-4H-1,4-benzoxazin-6-yl)acetamide
CID 110770256
N-(3-acetylphenyl)-2-(3-oxo-4H-1,4-benzoxazin-6-yl)acetamide
CID 110770345

Frequently Asked Questions

What is the IUPAC name of 2-(3-oxo-4H-1,4-benzoxazin-6-yl)acetohydrazide?
The IUPAC name of 2-(3-oxo-4H-1,4-benzoxazin-6-yl)acetohydrazide (CID 19002730) is 2-(3-oxo-4H-1,4-benzoxazin-6-yl)acetohydrazide.
What is the SMILES notation for 2-(3-oxo-4H-1,4-benzoxazin-6-yl)acetohydrazide?
The canonical SMILES for 2-(3-oxo-4H-1,4-benzoxazin-6-yl)acetohydrazide is NNC(=O)Cc1ccc2c(c1)NC(=O)CO2.
What is the InChIKey of 2-(3-oxo-4H-1,4-benzoxazin-6-yl)acetohydrazide?
The InChIKey is FJJNLPBJFYFYMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11N3O3/c11-13-9(14)4-6-1-2-8-7(3-6)12-10(15)5-16-8/h1-3H,4-5,11H2,(H,12,15)(H,13,14).
What are the key properties of 2-(3-oxo-4H-1,4-benzoxazin-6-yl)acetohydrazide?
2-(3-oxo-4H-1,4-benzoxazin-6-yl)acetohydrazide has a molecular weight of 221.22 g/mol, XLogP of -0.45, 2 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-oxo-4H-1,4-benzoxazin-6-yl)acetohydrazide is sourced from PubChem (CID 19002730), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).