ethyl N-(2-ethoxyethylidene)carbamate

C7H13NO3 — CID 57031209

IUPACethyl N-(2-ethoxyethylidene)carbamate
SMILESCCOCC=NC(=O)OCC
InChIInChI=1S/C7H13NO3/c1-3-10-6-5-8-7(9)11-4-2/h5H,3-4,6H2,1-2H3
InChIKeyLDAHSLYNPYTZNB-UHFFFAOYSA-N
MW159.19 g/mol
LogP1.25
Rot. Bonds4

About ethyl N-(2-ethoxyethylidene)carbamate

ethyl N-(2-ethoxyethylidene)carbamate (PubChem CID 57031209) has the molecular formula C7H13NO3 and a molecular weight of 159.19 g/mol. Its IUPAC name is ethyl N-(2-ethoxyethylidene)carbamate.

Molecular Properties

Compound Nameethyl N-(2-ethoxyethylidene)carbamate
PubChem CID57031209
Molecular FormulaC7H13NO3
Molecular Weight159.19 g/mol
Exact Mass159.09
IUPAC Nameethyl N-(2-ethoxyethylidene)carbamate
SMILESCCOCC=NC(=O)OCC
InChIInChI=1S/C7H13NO3/c1-3-10-6-5-8-7(9)11-4-2/h5H,3-4,6H2,1-2H3
InChIKeyLDAHSLYNPYTZNB-UHFFFAOYSA-N
XLogP1.25
TPSA47.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500159.19
LogP ≤ 51.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of ethyl N-(2-ethoxyethylidene)carbamate?
The IUPAC name of ethyl N-(2-ethoxyethylidene)carbamate (CID 57031209) is ethyl N-(2-ethoxyethylidene)carbamate.
What is the SMILES notation for ethyl N-(2-ethoxyethylidene)carbamate?
The canonical SMILES for ethyl N-(2-ethoxyethylidene)carbamate is CCOCC=NC(=O)OCC.
What is the InChIKey of ethyl N-(2-ethoxyethylidene)carbamate?
The InChIKey is LDAHSLYNPYTZNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13NO3/c1-3-10-6-5-8-7(9)11-4-2/h5H,3-4,6H2,1-2H3.
What are the key properties of ethyl N-(2-ethoxyethylidene)carbamate?
ethyl N-(2-ethoxyethylidene)carbamate has a molecular weight of 159.19 g/mol, XLogP of 1.25, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl N-(2-ethoxyethylidene)carbamate is sourced from PubChem (CID 57031209), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).