ethyl N-(2-methoxyethylidene)carbamate

C6H11NO3 — CID 173081894

IUPACethyl N-(2-methoxyethylidene)carbamate
SMILESCCOC(=O)N=CCOC
InChIInChI=1S/C6H11NO3/c1-3-10-6(8)7-4-5-9-2/h4H,3,5H2,1-2H3
InChIKeyXQJFHZDLMXNKEQ-UHFFFAOYSA-N
MW145.16 g/mol
LogP0.86
Rot. Bonds3

About ethyl N-(2-methoxyethylidene)carbamate

ethyl N-(2-methoxyethylidene)carbamate (PubChem CID 173081894) has the molecular formula C6H11NO3 and a molecular weight of 145.16 g/mol. Its IUPAC name is ethyl N-(2-methoxyethylidene)carbamate.

Molecular Properties

Compound Nameethyl N-(2-methoxyethylidene)carbamate
PubChem CID173081894
Molecular FormulaC6H11NO3
Molecular Weight145.16 g/mol
Exact Mass145.07
IUPAC Nameethyl N-(2-methoxyethylidene)carbamate
SMILESCCOC(=O)N=CCOC
InChIInChI=1S/C6H11NO3/c1-3-10-6(8)7-4-5-9-2/h4H,3,5H2,1-2H3
InChIKeyXQJFHZDLMXNKEQ-UHFFFAOYSA-N
XLogP0.86
TPSA47.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500145.16
LogP ≤ 50.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of ethyl N-(2-methoxyethylidene)carbamate?
The IUPAC name of ethyl N-(2-methoxyethylidene)carbamate (CID 173081894) is ethyl N-(2-methoxyethylidene)carbamate.
What is the SMILES notation for ethyl N-(2-methoxyethylidene)carbamate?
The canonical SMILES for ethyl N-(2-methoxyethylidene)carbamate is CCOC(=O)N=CCOC.
What is the InChIKey of ethyl N-(2-methoxyethylidene)carbamate?
The InChIKey is XQJFHZDLMXNKEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11NO3/c1-3-10-6(8)7-4-5-9-2/h4H,3,5H2,1-2H3.
What are the key properties of ethyl N-(2-methoxyethylidene)carbamate?
ethyl N-(2-methoxyethylidene)carbamate has a molecular weight of 145.16 g/mol, XLogP of 0.86, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl N-(2-methoxyethylidene)carbamate is sourced from PubChem (CID 173081894), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).