methyl 2-[2-(oxomethylidene)hydrazinyl]acetate

C4H6N2O3 — CID 18939795

IUPACmethyl 2-[2-(oxomethylidene)hydrazinyl]acetate
SMILESCOC(=O)CNN=C=O
InChIInChI=1S/C4H6N2O3/c1-9-4(8)2-5-6-3-7/h5H,2H2,1H3
InChIKeyGUTREEGQQBXVAF-UHFFFAOYSA-N
MW130.10 g/mol
LogP-1.00
Rot. Bonds3

About methyl 2-[2-(oxomethylidene)hydrazinyl]acetate

methyl 2-[2-(oxomethylidene)hydrazinyl]acetate (PubChem CID 18939795) has the molecular formula C4H6N2O3 and a molecular weight of 130.10 g/mol. Its IUPAC name is methyl 2-[2-(oxomethylidene)hydrazinyl]acetate.

Molecular Properties

Compound Namemethyl 2-[2-(oxomethylidene)hydrazinyl]acetate
PubChem CID18939795
Molecular FormulaC4H6N2O3
Molecular Weight130.10 g/mol
Exact Mass130.04
IUPAC Namemethyl 2-[2-(oxomethylidene)hydrazinyl]acetate
SMILESCOC(=O)CNN=C=O
InChIInChI=1S/C4H6N2O3/c1-9-4(8)2-5-6-3-7/h5H,2H2,1H3
InChIKeyGUTREEGQQBXVAF-UHFFFAOYSA-N
XLogP-1.00
TPSA67.76 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500130.10
LogP ≤ 5-1.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'isocyanate', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of methyl 2-[2-(oxomethylidene)hydrazinyl]acetate?
The IUPAC name of methyl 2-[2-(oxomethylidene)hydrazinyl]acetate (CID 18939795) is methyl 2-[2-(oxomethylidene)hydrazinyl]acetate.
What is the SMILES notation for methyl 2-[2-(oxomethylidene)hydrazinyl]acetate?
The canonical SMILES for methyl 2-[2-(oxomethylidene)hydrazinyl]acetate is COC(=O)CNN=C=O.
What is the InChIKey of methyl 2-[2-(oxomethylidene)hydrazinyl]acetate?
The InChIKey is GUTREEGQQBXVAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H6N2O3/c1-9-4(8)2-5-6-3-7/h5H,2H2,1H3.
What are the key properties of methyl 2-[2-(oxomethylidene)hydrazinyl]acetate?
methyl 2-[2-(oxomethylidene)hydrazinyl]acetate has a molecular weight of 130.10 g/mol, XLogP of -1.00, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[2-(oxomethylidene)hydrazinyl]acetate is sourced from PubChem (CID 18939795), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).