ethyl 2-hydrazinylacetate

C4H10N2O2 — CID 12509

IUPACethyl 2-hydrazinylacetate
SMILESCCOC(=O)CNN
InChIInChI=1S/C4H10N2O2/c1-2-8-4(7)3-6-5/h6H,2-3,5H2,1H3
InChIKeyGETVBTMFGVOGRW-UHFFFAOYSA-N
MW118.14 g/mol
LogP-0.99
Rot. Bonds3

About ethyl 2-hydrazinylacetate

ethyl 2-hydrazinylacetate (PubChem CID 12509) has the molecular formula C4H10N2O2 and a molecular weight of 118.14 g/mol. Its IUPAC name is ethyl 2-hydrazinylacetate.

Molecular Properties

Compound Nameethyl 2-hydrazinylacetate
PubChem CID12509
Molecular FormulaC4H10N2O2
Molecular Weight118.14 g/mol
Exact Mass118.07
IUPAC Nameethyl 2-hydrazinylacetate
SMILESCCOC(=O)CNN
InChIInChI=1S/C4H10N2O2/c1-2-8-4(7)3-6-5/h6H,2-3,5H2,1H3
InChIKeyGETVBTMFGVOGRW-UHFFFAOYSA-N
XLogP-0.99
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500118.14
LogP ≤ 5-0.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydrazine', '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-hydrazinylacetate?
The IUPAC name of ethyl 2-hydrazinylacetate (CID 12509) is ethyl 2-hydrazinylacetate.
What is the SMILES notation for ethyl 2-hydrazinylacetate?
The canonical SMILES for ethyl 2-hydrazinylacetate is CCOC(=O)CNN.
What is the InChIKey of ethyl 2-hydrazinylacetate?
The InChIKey is GETVBTMFGVOGRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H10N2O2/c1-2-8-4(7)3-6-5/h6H,2-3,5H2,1H3.
What are the key properties of ethyl 2-hydrazinylacetate?
ethyl 2-hydrazinylacetate has a molecular weight of 118.14 g/mol, XLogP of -0.99, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-hydrazinylacetate is sourced from PubChem (CID 12509), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).