[(E)-ethylideneamino]oxymethanediol

C3H7NO3 — CID 172983770

IUPAC[(E)-ethylideneamino]oxymethanediol
SMILESC/C=N/OC(O)O
InChIInChI=1S/C3H7NO3/c1-2-4-7-3(5)6/h2-3,5-6H,1H3/b4-2+
InChIKeyKEFQTAZWNWUESC-DUXPYHPUSA-N
MW105.09 g/mol
LogP-0.72
Rot. Bonds2

About [(E)-ethylideneamino]oxymethanediol

[(E)-ethylideneamino]oxymethanediol (PubChem CID 172983770) has the molecular formula C3H7NO3 and a molecular weight of 105.09 g/mol. Its IUPAC name is [(E)-ethylideneamino]oxymethanediol.

Molecular Properties

Compound Name[(E)-ethylideneamino]oxymethanediol
PubChem CID172983770
Molecular FormulaC3H7NO3
Molecular Weight105.09 g/mol
Exact Mass105.04
IUPAC Name[(E)-ethylideneamino]oxymethanediol
SMILESC/C=N/OC(O)O
InChIInChI=1S/C3H7NO3/c1-2-4-7-3(5)6/h2-3,5-6H,1H3/b4-2+
InChIKeyKEFQTAZWNWUESC-DUXPYHPUSA-N
XLogP-0.72
TPSA62.05 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500105.09
LogP ≤ 5-0.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze [(E)-ethylideneamino]oxymethanediol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of [(E)-ethylideneamino]oxymethanediol?
The IUPAC name of [(E)-ethylideneamino]oxymethanediol (CID 172983770) is [(E)-ethylideneamino]oxymethanediol.
What is the SMILES notation for [(E)-ethylideneamino]oxymethanediol?
The canonical SMILES for [(E)-ethylideneamino]oxymethanediol is C/C=N/OC(O)O.
What is the InChIKey of [(E)-ethylideneamino]oxymethanediol?
The InChIKey is KEFQTAZWNWUESC-DUXPYHPUSA-N. The full InChI is InChI=1S/C3H7NO3/c1-2-4-7-3(5)6/h2-3,5-6H,1H3/b4-2+.
What are the key properties of [(E)-ethylideneamino]oxymethanediol?
[(E)-ethylideneamino]oxymethanediol has a molecular weight of 105.09 g/mol, XLogP of -0.72, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(E)-ethylideneamino]oxymethanediol is sourced from PubChem (CID 172983770), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).