[(E)-aminomethylideneamino] formate

C2H4N2O2 — CID 23295670

IUPAC[(E)-aminomethylideneamino] formate
SMILESN/C=N/OC=O
InChIInChI=1S/C2H4N2O2/c3-1-4-6-2-5/h1-2H,(H2,3,4)
InChIKeyCLJBYLHBUNNPRY-UHFFFAOYSA-N
MW88.07 g/mol
LogP-0.94
Rot. Bonds2

About [(E)-aminomethylideneamino] formate

[(E)-aminomethylideneamino] formate (PubChem CID 23295670) has the molecular formula C2H4N2O2 and a molecular weight of 88.07 g/mol. Its IUPAC name is [(E)-aminomethylideneamino] formate.

Molecular Properties

Compound Name[(E)-aminomethylideneamino] formate
PubChem CID23295670
Molecular FormulaC2H4N2O2
Molecular Weight88.07 g/mol
Exact Mass88.03
IUPAC Name[(E)-aminomethylideneamino] formate
SMILESN/C=N/OC=O
InChIInChI=1S/C2H4N2O2/c3-1-4-6-2-5/h1-2H,(H2,3,4)
InChIKeyCLJBYLHBUNNPRY-UHFFFAOYSA-N
XLogP-0.94
TPSA64.68 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms6
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50088.07
LogP ≤ 5-0.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'oxime_2', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N'-[(E)-prop-1-enoxy]methanimidamide
CID 170068703
ethene;[(E)-2-oxopropylideneamino] formate
CID 144999498
[(E)-(2-amino-2,4,4-trimethyl-3-oxopentylidene)amino] formate
CID 129116589
N'-(chloromethoxy)methanimidamide
CID 123494030
amino formate;manganese
CID 87972076
formamide;palladium
CID 174582931
formamide;platinum
CID 174568067
formamide chloride
CID 19069839
formamide;dihydrochloride
CID 22397279
formamide;bis(rhodium(2+))
CID 175697382
alumane;formamide
CID 173480273
azane;formamide
CID 87514751

Frequently Asked Questions

What is the IUPAC name of [(E)-aminomethylideneamino] formate?
The IUPAC name of [(E)-aminomethylideneamino] formate (CID 23295670) is [(E)-aminomethylideneamino] formate.
What is the SMILES notation for [(E)-aminomethylideneamino] formate?
The canonical SMILES for [(E)-aminomethylideneamino] formate is N/C=N/OC=O.
What is the InChIKey of [(E)-aminomethylideneamino] formate?
The InChIKey is CLJBYLHBUNNPRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C2H4N2O2/c3-1-4-6-2-5/h1-2H,(H2,3,4).
What are the key properties of [(E)-aminomethylideneamino] formate?
[(E)-aminomethylideneamino] formate has a molecular weight of 88.07 g/mol, XLogP of -0.94, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(E)-aminomethylideneamino] formate is sourced from PubChem (CID 23295670), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).