2-hydrazinylethyl acetate

C4H10N2O2 — CID 127258981

IUPAC2-hydrazinylethyl acetate
SMILESCC(=O)OCCNN
InChIInChI=1S/C4H10N2O2/c1-4(7)8-3-2-6-5/h6H,2-3,5H2,1H3
InChIKeyCFFPQBHLZWTYAQ-UHFFFAOYSA-N
MW118.14 g/mol
LogP-0.99
Rot. Bonds3

About 2-hydrazinylethyl acetate

2-hydrazinylethyl acetate (PubChem CID 127258981) has the molecular formula C4H10N2O2 and a molecular weight of 118.14 g/mol. Its IUPAC name is 2-hydrazinylethyl acetate.

Molecular Properties

Compound Name2-hydrazinylethyl acetate
PubChem CID127258981
Molecular FormulaC4H10N2O2
Molecular Weight118.14 g/mol
Exact Mass118.07
IUPAC Name2-hydrazinylethyl acetate
SMILESCC(=O)OCCNN
InChIInChI=1S/C4H10N2O2/c1-4(7)8-3-2-6-5/h6H,2-3,5H2,1H3
InChIKeyCFFPQBHLZWTYAQ-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': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'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 2-hydrazinylethyl acetate?
The IUPAC name of 2-hydrazinylethyl acetate (CID 127258981) is 2-hydrazinylethyl acetate.
What is the SMILES notation for 2-hydrazinylethyl acetate?
The canonical SMILES for 2-hydrazinylethyl acetate is CC(=O)OCCNN.
What is the InChIKey of 2-hydrazinylethyl acetate?
The InChIKey is CFFPQBHLZWTYAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H10N2O2/c1-4(7)8-3-2-6-5/h6H,2-3,5H2,1H3.
What are the key properties of 2-hydrazinylethyl acetate?
2-hydrazinylethyl acetate 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 2-hydrazinylethyl acetate is sourced from PubChem (CID 127258981), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).