[(Z)-1-aminoethylideneamino] methyl carbonate

C4H8N2O3 — CID 55283744

IUPAC[(Z)-1-aminoethylideneamino] methyl carbonate
SMILESCOC(=O)O/N=C(/C)N
InChIInChI=1S/C4H8N2O3/c1-3(5)6-9-4(7)8-2/h1-2H3,(H2,5,6)
InChIKeyJWCJPKZVQPQKRE-UHFFFAOYSA-N
MW132.12 g/mol
LogP0.06
Rot. Bonds1

About [(Z)-1-aminoethylideneamino] methyl carbonate

[(Z)-1-aminoethylideneamino] methyl carbonate (PubChem CID 55283744) has the molecular formula C4H8N2O3 and a molecular weight of 132.12 g/mol. Its IUPAC name is [(Z)-1-aminoethylideneamino] methyl carbonate.

Molecular Properties

Compound Name[(Z)-1-aminoethylideneamino] methyl carbonate
PubChem CID55283744
Molecular FormulaC4H8N2O3
Molecular Weight132.12 g/mol
Exact Mass132.05
IUPAC Name[(Z)-1-aminoethylideneamino] methyl carbonate
SMILESCOC(=O)O/N=C(/C)N
InChIInChI=1S/C4H8N2O3/c1-3(5)6-9-4(7)8-2/h1-2H3,(H2,5,6)
InChIKeyJWCJPKZVQPQKRE-UHFFFAOYSA-N
XLogP0.06
TPSA73.91 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500132.12
LogP ≤ 50.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'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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Frequently Asked Questions

What is the IUPAC name of [(Z)-1-aminoethylideneamino] methyl carbonate?
The IUPAC name of [(Z)-1-aminoethylideneamino] methyl carbonate (CID 55283744) is [(Z)-1-aminoethylideneamino] methyl carbonate.
What is the SMILES notation for [(Z)-1-aminoethylideneamino] methyl carbonate?
The canonical SMILES for [(Z)-1-aminoethylideneamino] methyl carbonate is COC(=O)O/N=C(/C)N.
What is the InChIKey of [(Z)-1-aminoethylideneamino] methyl carbonate?
The InChIKey is JWCJPKZVQPQKRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H8N2O3/c1-3(5)6-9-4(7)8-2/h1-2H3,(H2,5,6).
What are the key properties of [(Z)-1-aminoethylideneamino] methyl carbonate?
[(Z)-1-aminoethylideneamino] methyl carbonate has a molecular weight of 132.12 g/mol, XLogP of 0.06, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(Z)-1-aminoethylideneamino] methyl carbonate is sourced from PubChem (CID 55283744), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).