[(E)-2-aminoethenyl] carbamate

C3H6N2O2 — CID 154551907

IUPAC[(E)-2-aminoethenyl] carbamate
SMILESN/C=C/OC(N)=O
InChIInChI=1S/C3H6N2O2/c4-1-2-7-3(5)6/h1-2H,4H2,(H2,5,6)/b2-1+
InChIKeyXCWFWZGUGOJDQU-OWOJBTEDSA-N
MW102.09 g/mol
LogP-0.49
Rot. Bonds1

About [(E)-2-aminoethenyl] carbamate

[(E)-2-aminoethenyl] carbamate (PubChem CID 154551907) has the molecular formula C3H6N2O2 and a molecular weight of 102.09 g/mol. Its IUPAC name is [(E)-2-aminoethenyl] carbamate.

Molecular Properties

Compound Name[(E)-2-aminoethenyl] carbamate
PubChem CID154551907
Molecular FormulaC3H6N2O2
Molecular Weight102.09 g/mol
Exact Mass102.04
IUPAC Name[(E)-2-aminoethenyl] carbamate
SMILESN/C=C/OC(N)=O
InChIInChI=1S/C3H6N2O2/c4-1-2-7-3(5)6/h1-2H,4H2,(H2,5,6)/b2-1+
InChIKeyXCWFWZGUGOJDQU-OWOJBTEDSA-N
XLogP-0.49
TPSA78.34 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500102.09
LogP ≤ 5-0.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of [(E)-2-aminoethenyl] carbamate?
The IUPAC name of [(E)-2-aminoethenyl] carbamate (CID 154551907) is [(E)-2-aminoethenyl] carbamate.
What is the SMILES notation for [(E)-2-aminoethenyl] carbamate?
The canonical SMILES for [(E)-2-aminoethenyl] carbamate is N/C=C/OC(N)=O.
What is the InChIKey of [(E)-2-aminoethenyl] carbamate?
The InChIKey is XCWFWZGUGOJDQU-OWOJBTEDSA-N. The full InChI is InChI=1S/C3H6N2O2/c4-1-2-7-3(5)6/h1-2H,4H2,(H2,5,6)/b2-1+.
What are the key properties of [(E)-2-aminoethenyl] carbamate?
[(E)-2-aminoethenyl] carbamate has a molecular weight of 102.09 g/mol, XLogP of -0.49, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(E)-2-aminoethenyl] carbamate is sourced from PubChem (CID 154551907), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).