methyl 2-(formylhydrazinylidene)acetate

C4H6N2O3 — CID 54359132

IUPACmethyl 2-(formylhydrazinylidene)acetate
SMILESCOC(=O)C=NNC=O
InChIInChI=1S/C4H6N2O3/c1-9-4(8)2-5-6-3-7/h2-3H,1H3,(H,6,7)
InChIKeyULFQNCNCMZXDDW-UHFFFAOYSA-N
MW130.10 g/mol
LogP-1.11
Rot. Bonds3

About methyl 2-(formylhydrazinylidene)acetate

methyl 2-(formylhydrazinylidene)acetate (PubChem CID 54359132) has the molecular formula C4H6N2O3 and a molecular weight of 130.10 g/mol. Its IUPAC name is methyl 2-(formylhydrazinylidene)acetate.

Molecular Properties

Compound Namemethyl 2-(formylhydrazinylidene)acetate
PubChem CID54359132
Molecular FormulaC4H6N2O3
Molecular Weight130.10 g/mol
Exact Mass130.04
IUPAC Namemethyl 2-(formylhydrazinylidene)acetate
SMILESCOC(=O)C=NNC=O
InChIInChI=1S/C4H6N2O3/c1-9-4(8)2-5-6-3-7/h2-3H,1H3,(H,6,7)
InChIKeyULFQNCNCMZXDDW-UHFFFAOYSA-N
XLogP-1.11
TPSA67.76 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500130.10
LogP ≤ 5-1.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze methyl 2-(formylhydrazinylidene)acetate with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of methyl 2-(formylhydrazinylidene)acetate?
The IUPAC name of methyl 2-(formylhydrazinylidene)acetate (CID 54359132) is methyl 2-(formylhydrazinylidene)acetate.
What is the SMILES notation for methyl 2-(formylhydrazinylidene)acetate?
The canonical SMILES for methyl 2-(formylhydrazinylidene)acetate is COC(=O)C=NNC=O.
What is the InChIKey of methyl 2-(formylhydrazinylidene)acetate?
The InChIKey is ULFQNCNCMZXDDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H6N2O3/c1-9-4(8)2-5-6-3-7/h2-3H,1H3,(H,6,7).
What are the key properties of methyl 2-(formylhydrazinylidene)acetate?
methyl 2-(formylhydrazinylidene)acetate has a molecular weight of 130.10 g/mol, XLogP of -1.11, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(formylhydrazinylidene)acetate is sourced from PubChem (CID 54359132), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).