methyl N-[(E)-2-aminoethylideneamino]carbamate

C4H9N3O2 — CID 58684381

IUPACmethyl N-[(E)-2-aminoethylideneamino]carbamate
SMILESCOC(=O)N/N=C/CN
InChIInChI=1S/C4H9N3O2/c1-9-4(8)7-6-3-2-5/h3H,2,5H2,1H3,(H,7,8)/b6-3+
InChIKeyJYZYGIFTFOHZTR-ZZXKWVIFSA-N
MW131.13 g/mol
LogP-0.71
Rot. Bonds2

About methyl N-[(E)-2-aminoethylideneamino]carbamate

methyl N-[(E)-2-aminoethylideneamino]carbamate (PubChem CID 58684381) has the molecular formula C4H9N3O2 and a molecular weight of 131.13 g/mol. Its IUPAC name is methyl N-[(E)-2-aminoethylideneamino]carbamate.

Molecular Properties

Compound Namemethyl N-[(E)-2-aminoethylideneamino]carbamate
PubChem CID58684381
Molecular FormulaC4H9N3O2
Molecular Weight131.13 g/mol
Exact Mass131.07
IUPAC Namemethyl N-[(E)-2-aminoethylideneamino]carbamate
SMILESCOC(=O)N/N=C/CN
InChIInChI=1S/C4H9N3O2/c1-9-4(8)7-6-3-2-5/h3H,2,5H2,1H3,(H,7,8)/b6-3+
InChIKeyJYZYGIFTFOHZTR-ZZXKWVIFSA-N
XLogP-0.71
TPSA76.71 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500131.13
LogP ≤ 5-0.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'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 methyl N-[(E)-2-aminoethylideneamino]carbamate?
The IUPAC name of methyl N-[(E)-2-aminoethylideneamino]carbamate (CID 58684381) is methyl N-[(E)-2-aminoethylideneamino]carbamate.
What is the SMILES notation for methyl N-[(E)-2-aminoethylideneamino]carbamate?
The canonical SMILES for methyl N-[(E)-2-aminoethylideneamino]carbamate is COC(=O)N/N=C/CN.
What is the InChIKey of methyl N-[(E)-2-aminoethylideneamino]carbamate?
The InChIKey is JYZYGIFTFOHZTR-ZZXKWVIFSA-N. The full InChI is InChI=1S/C4H9N3O2/c1-9-4(8)7-6-3-2-5/h3H,2,5H2,1H3,(H,7,8)/b6-3+.
What are the key properties of methyl N-[(E)-2-aminoethylideneamino]carbamate?
methyl N-[(E)-2-aminoethylideneamino]carbamate has a molecular weight of 131.13 g/mol, XLogP of -0.71, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl N-[(E)-2-aminoethylideneamino]carbamate is sourced from PubChem (CID 58684381), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).