ethyl N-amino-N-ethenylcarbamate

C5H10N2O2 — CID 174832882

IUPACethyl N-amino-N-ethenylcarbamate
SMILESC=CN(N)C(=O)OCC
InChIInChI=1S/C5H10N2O2/c1-3-7(6)5(8)9-4-2/h3H,1,4,6H2,2H3
InChIKeyKFSPSPIFWJKZFG-UHFFFAOYSA-N
MW130.15 g/mol
LogP0.46
Rot. Bonds2

About ethyl N-amino-N-ethenylcarbamate

ethyl N-amino-N-ethenylcarbamate (PubChem CID 174832882) has the molecular formula C5H10N2O2 and a molecular weight of 130.15 g/mol. Its IUPAC name is ethyl N-amino-N-ethenylcarbamate.

Molecular Properties

Compound Nameethyl N-amino-N-ethenylcarbamate
PubChem CID174832882
Molecular FormulaC5H10N2O2
Molecular Weight130.15 g/mol
Exact Mass130.07
IUPAC Nameethyl N-amino-N-ethenylcarbamate
SMILESC=CN(N)C(=O)OCC
InChIInChI=1S/C5H10N2O2/c1-3-7(6)5(8)9-4-2/h3H,1,4,6H2,2H3
InChIKeyKFSPSPIFWJKZFG-UHFFFAOYSA-N
XLogP0.46
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500130.15
LogP ≤ 50.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyl_hydrazine', 'substructure': 'N/A'}, {'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

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ethane;N-ethenylprop-2-enehydrazide
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Frequently Asked Questions

What is the IUPAC name of ethyl N-amino-N-ethenylcarbamate?
The IUPAC name of ethyl N-amino-N-ethenylcarbamate (CID 174832882) is ethyl N-amino-N-ethenylcarbamate.
What is the SMILES notation for ethyl N-amino-N-ethenylcarbamate?
The canonical SMILES for ethyl N-amino-N-ethenylcarbamate is C=CN(N)C(=O)OCC.
What is the InChIKey of ethyl N-amino-N-ethenylcarbamate?
The InChIKey is KFSPSPIFWJKZFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H10N2O2/c1-3-7(6)5(8)9-4-2/h3H,1,4,6H2,2H3.
What are the key properties of ethyl N-amino-N-ethenylcarbamate?
ethyl N-amino-N-ethenylcarbamate has a molecular weight of 130.15 g/mol, XLogP of 0.46, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl N-amino-N-ethenylcarbamate is sourced from PubChem (CID 174832882), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).