hydrazinecarbonyl acetate

C3H6N2O3 — CID 129117292

IUPAChydrazinecarbonyl acetate
SMILESCC(=O)OC(=O)NN
InChIInChI=1S/C3H6N2O3/c1-2(6)8-3(7)5-4/h4H2,1H3,(H,5,7)
InChIKeyUONZSIWVCZNQCF-UHFFFAOYSA-N
MW118.09 g/mol
LogP-0.87
Rot. Bonds

About hydrazinecarbonyl acetate

hydrazinecarbonyl acetate (PubChem CID 129117292) has the molecular formula C3H6N2O3 and a molecular weight of 118.09 g/mol. Its IUPAC name is hydrazinecarbonyl acetate.

Molecular Properties

Compound Namehydrazinecarbonyl acetate
PubChem CID129117292
Molecular FormulaC3H6N2O3
Molecular Weight118.09 g/mol
Exact Mass118.04
IUPAC Namehydrazinecarbonyl acetate
SMILESCC(=O)OC(=O)NN
InChIInChI=1S/C3H6N2O3/c1-2(6)8-3(7)5-4/h4H2,1H3,(H,5,7)
InChIKeyUONZSIWVCZNQCF-UHFFFAOYSA-N
XLogP-0.87
TPSA81.42 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500118.09
LogP ≤ 5-0.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

methoxycarbamoyl acetate
CID 162136084
hydroxycarbamoyl acetate
CID 15549261
hydrazinecarbonyl 2-methylpent-2-enoate
CID 173089378
acetyl acetate;chromium(2+)
CID 19978523
acetyl acetate;hydrochloride
CID 87138027
CID 160689228
CID 160689228
methyl acetate;titanium
CID 87665287
acetohydrazide
CID 169432654
acetyl acetate;methylurea
CID 157181013
acetic acid;tert-butyl N-aminocarbamate
CID 174608013
carbamimidoyl N-aminocarbamate
CID 174816859
dicalcium;acetyl acetate;hydride
CID 174404063

Frequently Asked Questions

What is the IUPAC name of hydrazinecarbonyl acetate?
The IUPAC name of hydrazinecarbonyl acetate (CID 129117292) is hydrazinecarbonyl acetate.
What is the SMILES notation for hydrazinecarbonyl acetate?
The canonical SMILES for hydrazinecarbonyl acetate is CC(=O)OC(=O)NN.
What is the InChIKey of hydrazinecarbonyl acetate?
The InChIKey is UONZSIWVCZNQCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H6N2O3/c1-2(6)8-3(7)5-4/h4H2,1H3,(H,5,7).
What are the key properties of hydrazinecarbonyl acetate?
hydrazinecarbonyl acetate has a molecular weight of 118.09 g/mol, XLogP of -0.87, 0 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for hydrazinecarbonyl acetate is sourced from PubChem (CID 129117292), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).