ethyl N-ethyliminocarbamate

C5H10N2O2 — CID 57497848

IUPACethyl N-ethyliminocarbamate
SMILESCC/N=N/C(=O)OCC
InChIInChI=1S/C5H10N2O2/c1-3-6-7-5(8)9-4-2/h3-4H2,1-2H3/b7-6+
InChIKeyPOUCOUDTSKVYHI-VOTSOKGWSA-N
MW130.15 g/mol
LogP1.62
Rot. Bonds2

About ethyl N-ethyliminocarbamate

ethyl N-ethyliminocarbamate (PubChem CID 57497848) has the molecular formula C5H10N2O2 and a molecular weight of 130.15 g/mol. Its IUPAC name is ethyl N-ethyliminocarbamate.

Molecular Properties

Compound Nameethyl N-ethyliminocarbamate
PubChem CID57497848
Molecular FormulaC5H10N2O2
Molecular Weight130.15 g/mol
Exact Mass130.07
IUPAC Nameethyl N-ethyliminocarbamate
SMILESCC/N=N/C(=O)OCC
InChIInChI=1S/C5H10N2O2/c1-3-6-7-5(8)9-4-2/h3-4H2,1-2H3/b7-6+
InChIKeyPOUCOUDTSKVYHI-VOTSOKGWSA-N
XLogP1.62
TPSA51.02 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500130.15
LogP ≤ 51.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of ethyl N-ethyliminocarbamate?
The IUPAC name of ethyl N-ethyliminocarbamate (CID 57497848) is ethyl N-ethyliminocarbamate.
What is the SMILES notation for ethyl N-ethyliminocarbamate?
The canonical SMILES for ethyl N-ethyliminocarbamate is CC/N=N/C(=O)OCC.
What is the InChIKey of ethyl N-ethyliminocarbamate?
The InChIKey is POUCOUDTSKVYHI-VOTSOKGWSA-N. The full InChI is InChI=1S/C5H10N2O2/c1-3-6-7-5(8)9-4-2/h3-4H2,1-2H3/b7-6+.
What are the key properties of ethyl N-ethyliminocarbamate?
ethyl N-ethyliminocarbamate has a molecular weight of 130.15 g/mol, XLogP of 1.62, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl N-ethyliminocarbamate is sourced from PubChem (CID 57497848), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).