hydrazinyl 3-acetyloxybenzoate

C9H10N2O4 — CID 70292592

IUPAChydrazinyl 3-acetyloxybenzoate
SMILESCC(=O)Oc1cccc(C(=O)ONN)c1
InChIInChI=1S/C9H10N2O4/c1-6(12)14-8-4-2-3-7(5-8)9(13)15-11-10/h2-5,11H,10H2,1H3
InChIKeyXQUFLMAQHMZAIJ-UHFFFAOYSA-N
MW210.19 g/mol
LogP0.15
Rot. Bonds3

About hydrazinyl 3-acetyloxybenzoate

hydrazinyl 3-acetyloxybenzoate (PubChem CID 70292592) has the molecular formula C9H10N2O4 and a molecular weight of 210.19 g/mol. Its IUPAC name is hydrazinyl 3-acetyloxybenzoate.

Molecular Properties

Compound Namehydrazinyl 3-acetyloxybenzoate
PubChem CID70292592
Molecular FormulaC9H10N2O4
Molecular Weight210.19 g/mol
Exact Mass210.06
IUPAC Namehydrazinyl 3-acetyloxybenzoate
SMILESCC(=O)Oc1cccc(C(=O)ONN)c1
InChIInChI=1S/C9H10N2O4/c1-6(12)14-8-4-2-3-7(5-8)9(13)15-11-10/h2-5,11H,10H2,1H3
InChIKeyXQUFLMAQHMZAIJ-UHFFFAOYSA-N
XLogP0.15
TPSA90.65 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.19
LogP ≤ 50.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze hydrazinyl 3-acetyloxybenzoate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

methyl 3-acetyloxybenzoate
CID 577969
(3-carbamothioylphenyl) acetate
CID 97046721
benzyl 3-acetyloxybenzoate
CID 11334719
[3-[N-amino-N'-(4-iodophenyl)carbamimidoyl]phenyl] acetate
CID 10668378
methyl 3-carbamoyloxybenzoate
CID 795113
methyl 3-(3-acetyloxyphenyl)iodanuidylbenzoate
CID 58887058
[3-(2-bromoacetyl)phenyl] acetate
CID 23289276
[5-[(3-acetyloxybenzoyl)oxymethyl]-1,3-dioxan-5-yl]methyl 3-acetyloxybenzoate
CID 58003326
[3-(2-bromo-2,2-difluoroacetyl)phenyl] acetate
CID 146010595
[3-(3-bromobenzoyl)phenyl] acetate
CID 24722940
[3-[2-[(3,4-dimethylbenzoyl)amino]ethylcarbamoyl]phenyl] acetate
CID 108537513
[3-(2,3-dimethylbenzoyl)phenyl] acetate
CID 24722984

Frequently Asked Questions

What is the IUPAC name of hydrazinyl 3-acetyloxybenzoate?
The IUPAC name of hydrazinyl 3-acetyloxybenzoate (CID 70292592) is hydrazinyl 3-acetyloxybenzoate.
What is the SMILES notation for hydrazinyl 3-acetyloxybenzoate?
The canonical SMILES for hydrazinyl 3-acetyloxybenzoate is CC(=O)Oc1cccc(C(=O)ONN)c1.
What is the InChIKey of hydrazinyl 3-acetyloxybenzoate?
The InChIKey is XQUFLMAQHMZAIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10N2O4/c1-6(12)14-8-4-2-3-7(5-8)9(13)15-11-10/h2-5,11H,10H2,1H3.
What are the key properties of hydrazinyl 3-acetyloxybenzoate?
hydrazinyl 3-acetyloxybenzoate has a molecular weight of 210.19 g/mol, XLogP of 0.15, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for hydrazinyl 3-acetyloxybenzoate is sourced from PubChem (CID 70292592), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).