Ethyl 5-oxa-6-azaspiro[3.4]octane-7-carboxylate

HCID 59611538

Notes Reactions

Substructure search Find similar structures

Basic information

Standard SMILES: CCOC(=O)C1CC2(CCC2)ON1
InChIKey: MZEOOTBCIMYLSX-UHFFFAOYSA-N
Molecular formula: C9H15NO3
Average molar mass: 185.22 g/mol

Names & identifiers

Preferred name: Ethyl 5-oxa-6-azaspiro[3.4]octane-7-carboxylate
IUPAC: ethyl 5-oxa-6-azaspiro[3.4]octane-7-carboxylate

Names & synonyms

1256391-71-5ethyl 5-oxa-6-azaspiro[3.4]octane-7-carboxylateSCHEMBL203482MZEOOTBCIMYLSX-UHFFFAOYSA-NDB-118499ethyl5-oxa-6-azaspiro[3.4]octane-7-carboxylate5-oxa-6-aza-spiro[3.4]octane-7-carboxylic acid ethyl ester

Database identifiers

PubChem CID: 59611538

Properties

Computed structural properties

XLogP: 1
Topological polar surface area: 47.6 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 4
Rotatable bonds: 3
Heavy atoms: 13
Formal charge: 0
Complexity: 213

Related reactions

12 records

New reaction record

HRID 72036As productuspto-grants-2014_09

HRID 72037As reactantuspto-grants-2014_09

HRID 79978As productuspto-grants-2014_09

HRID 79979As reactantuspto-grants-2014_09

HRID 313183As reactantTraining data from https://doi.org/10.1039/C8SC04228D (8/10)

HRID 417728As productuspto-grants-2012_01

HRID 417729As reactantuspto-grants-2012_01

HRID 1185941As productuspto-grants-2014_03

Compound notes

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