methyl 2-(2-methylidenehydrazinyl)acetate

C4H8N2O2 — CID 135161314

IUPACmethyl 2-(2-methylidenehydrazinyl)acetate
SMILESC=NNCC(=O)OC
InChIInChI=1S/C4H8N2O2/c1-5-6-3-4(7)8-2/h6H,1,3H2,2H3
InChIKeyQQLXNZVCARYTNY-UHFFFAOYSA-N
MW116.12 g/mol
LogP-0.64
Rot. Bonds3

About methyl 2-(2-methylidenehydrazinyl)acetate

methyl 2-(2-methylidenehydrazinyl)acetate (PubChem CID 135161314) has the molecular formula C4H8N2O2 and a molecular weight of 116.12 g/mol. Its IUPAC name is methyl 2-(2-methylidenehydrazinyl)acetate.

Molecular Properties

Compound Namemethyl 2-(2-methylidenehydrazinyl)acetate
PubChem CID135161314
Molecular FormulaC4H8N2O2
Molecular Weight116.12 g/mol
Exact Mass116.06
IUPAC Namemethyl 2-(2-methylidenehydrazinyl)acetate
SMILESC=NNCC(=O)OC
InChIInChI=1S/C4H8N2O2/c1-5-6-3-4(7)8-2/h6H,1,3H2,2H3
InChIKeyQQLXNZVCARYTNY-UHFFFAOYSA-N
XLogP-0.64
TPSA50.69 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500116.12
LogP ≤ 5-0.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', '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-methylidenehydrazinyl)acetate?
The IUPAC name of methyl 2-(2-methylidenehydrazinyl)acetate (CID 135161314) is methyl 2-(2-methylidenehydrazinyl)acetate.
What is the SMILES notation for methyl 2-(2-methylidenehydrazinyl)acetate?
The canonical SMILES for methyl 2-(2-methylidenehydrazinyl)acetate is C=NNCC(=O)OC.
What is the InChIKey of methyl 2-(2-methylidenehydrazinyl)acetate?
The InChIKey is QQLXNZVCARYTNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H8N2O2/c1-5-6-3-4(7)8-2/h6H,1,3H2,2H3.
What are the key properties of methyl 2-(2-methylidenehydrazinyl)acetate?
methyl 2-(2-methylidenehydrazinyl)acetate has a molecular weight of 116.12 g/mol, XLogP of -0.64, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(2-methylidenehydrazinyl)acetate is sourced from PubChem (CID 135161314), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).