2-[(Z)-ethylideneamino]oxyacetonitrile

C4H6N2O — CID 173339469

IUPAC2-[(Z)-ethylideneamino]oxyacetonitrile
SMILESC/C=N\OCC#N
InChIInChI=1S/C4H6N2O/c1-2-6-7-4-3-5/h2H,4H2,1H3/b6-2-
InChIKeyGYESGZUSCMBSHC-KXFIGUGUSA-N
MW98.10 g/mol
LogP0.53
Rot. Bonds2

About 2-[(Z)-ethylideneamino]oxyacetonitrile

2-[(Z)-ethylideneamino]oxyacetonitrile (PubChem CID 173339469) has the molecular formula C4H6N2O and a molecular weight of 98.10 g/mol. Its IUPAC name is 2-[(Z)-ethylideneamino]oxyacetonitrile.

Molecular Properties

Compound Name2-[(Z)-ethylideneamino]oxyacetonitrile
PubChem CID173339469
Molecular FormulaC4H6N2O
Molecular Weight98.10 g/mol
Exact Mass98.05
IUPAC Name2-[(Z)-ethylideneamino]oxyacetonitrile
SMILESC/C=N\OCC#N
InChIInChI=1S/C4H6N2O/c1-2-6-7-4-3-5/h2H,4H2,1H3/b6-2-
InChIKeyGYESGZUSCMBSHC-KXFIGUGUSA-N
XLogP0.53
TPSA45.38 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50098.10
LogP ≤ 50.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'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 2-[(Z)-ethylideneamino]oxyacetonitrile?
The IUPAC name of 2-[(Z)-ethylideneamino]oxyacetonitrile (CID 173339469) is 2-[(Z)-ethylideneamino]oxyacetonitrile.
What is the SMILES notation for 2-[(Z)-ethylideneamino]oxyacetonitrile?
The canonical SMILES for 2-[(Z)-ethylideneamino]oxyacetonitrile is C/C=N\OCC#N.
What is the InChIKey of 2-[(Z)-ethylideneamino]oxyacetonitrile?
The InChIKey is GYESGZUSCMBSHC-KXFIGUGUSA-N. The full InChI is InChI=1S/C4H6N2O/c1-2-6-7-4-3-5/h2H,4H2,1H3/b6-2-.
What are the key properties of 2-[(Z)-ethylideneamino]oxyacetonitrile?
2-[(Z)-ethylideneamino]oxyacetonitrile has a molecular weight of 98.10 g/mol, XLogP of 0.53, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(Z)-ethylideneamino]oxyacetonitrile is sourced from PubChem (CID 173339469), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).