ethyl 2-(2-methyliminohydrazinyl)acetate

C5H11N3O2 — CID 87721414

IUPACethyl 2-(2-methyliminohydrazinyl)acetate
SMILESCCOC(=O)CN/N=N/C
InChIInChI=1S/C5H11N3O2/c1-3-10-5(9)4-7-8-6-2/h3-4H2,1-2H3,(H,6,7)
InChIKeyNVTIUXQTQFTDIR-UHFFFAOYSA-N
MW145.16 g/mol
LogP0.14
Rot. Bonds4

About ethyl 2-(2-methyliminohydrazinyl)acetate

ethyl 2-(2-methyliminohydrazinyl)acetate (PubChem CID 87721414) has the molecular formula C5H11N3O2 and a molecular weight of 145.16 g/mol. Its IUPAC name is ethyl 2-(2-methyliminohydrazinyl)acetate.

Molecular Properties

Compound Nameethyl 2-(2-methyliminohydrazinyl)acetate
PubChem CID87721414
Molecular FormulaC5H11N3O2
Molecular Weight145.16 g/mol
Exact Mass145.09
IUPAC Nameethyl 2-(2-methyliminohydrazinyl)acetate
SMILESCCOC(=O)CN/N=N/C
InChIInChI=1S/C5H11N3O2/c1-3-10-5(9)4-7-8-6-2/h3-4H2,1-2H3,(H,6,7)
InChIKeyNVTIUXQTQFTDIR-UHFFFAOYSA-N
XLogP0.14
TPSA63.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500145.16
LogP ≤ 50.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', '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 ethyl 2-(2-methyliminohydrazinyl)acetate?
The IUPAC name of ethyl 2-(2-methyliminohydrazinyl)acetate (CID 87721414) is ethyl 2-(2-methyliminohydrazinyl)acetate.
What is the SMILES notation for ethyl 2-(2-methyliminohydrazinyl)acetate?
The canonical SMILES for ethyl 2-(2-methyliminohydrazinyl)acetate is CCOC(=O)CN/N=N/C.
What is the InChIKey of ethyl 2-(2-methyliminohydrazinyl)acetate?
The InChIKey is NVTIUXQTQFTDIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H11N3O2/c1-3-10-5(9)4-7-8-6-2/h3-4H2,1-2H3,(H,6,7).
What are the key properties of ethyl 2-(2-methyliminohydrazinyl)acetate?
ethyl 2-(2-methyliminohydrazinyl)acetate has a molecular weight of 145.16 g/mol, XLogP of 0.14, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(2-methyliminohydrazinyl)acetate is sourced from PubChem (CID 87721414), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).