ethyl 3-hydroxyimino-1-oxa-8-azaspiro[4.5]decane-8-carboxylate

C11H18N2O4 — CID 74043784

IUPACethyl 3-hydroxyimino-1-oxa-8-azaspiro[4.5]decane-8-carboxylate
SMILESCCOC(=O)N1CCC2(CC1)CC(=NO)CO2
InChIInChI=1S/C11H18N2O4/c1-2-16-10(14)13-5-3-11(4-6-13)7-9(12-15)8-17-11/h15H,2-8H2,1H3
InChIKeyHHASHYAUCCDLSJ-UHFFFAOYSA-N
MW242.27 g/mol
LogP1.23
Rot. Bonds1

About ethyl 3-hydroxyimino-1-oxa-8-azaspiro[4.5]decane-8-carboxylate

ethyl 3-hydroxyimino-1-oxa-8-azaspiro[4.5]decane-8-carboxylate (PubChem CID 74043784) has the molecular formula C11H18N2O4 and a molecular weight of 242.27 g/mol. Its IUPAC name is ethyl 3-hydroxyimino-1-oxa-8-azaspiro[4.5]decane-8-carboxylate.

Molecular Properties

Compound Nameethyl 3-hydroxyimino-1-oxa-8-azaspiro[4.5]decane-8-carboxylate
PubChem CID74043784
Molecular FormulaC11H18N2O4
Molecular Weight242.27 g/mol
Exact Mass242.13
IUPAC Nameethyl 3-hydroxyimino-1-oxa-8-azaspiro[4.5]decane-8-carboxylate
SMILESCCOC(=O)N1CCC2(CC1)CC(=NO)CO2
InChIInChI=1S/C11H18N2O4/c1-2-16-10(14)13-5-3-11(4-6-13)7-9(12-15)8-17-11/h15H,2-8H2,1H3
InChIKeyHHASHYAUCCDLSJ-UHFFFAOYSA-N
XLogP1.23
TPSA71.36 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.27
LogP ≤ 51.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'oxime_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of ethyl 3-hydroxyimino-1-oxa-8-azaspiro[4.5]decane-8-carboxylate?
The IUPAC name of ethyl 3-hydroxyimino-1-oxa-8-azaspiro[4.5]decane-8-carboxylate (CID 74043784) is ethyl 3-hydroxyimino-1-oxa-8-azaspiro[4.5]decane-8-carboxylate.
What is the SMILES notation for ethyl 3-hydroxyimino-1-oxa-8-azaspiro[4.5]decane-8-carboxylate?
The canonical SMILES for ethyl 3-hydroxyimino-1-oxa-8-azaspiro[4.5]decane-8-carboxylate is CCOC(=O)N1CCC2(CC1)CC(=NO)CO2.
What is the InChIKey of ethyl 3-hydroxyimino-1-oxa-8-azaspiro[4.5]decane-8-carboxylate?
The InChIKey is HHASHYAUCCDLSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2O4/c1-2-16-10(14)13-5-3-11(4-6-13)7-9(12-15)8-17-11/h15H,2-8H2,1H3.
What are the key properties of ethyl 3-hydroxyimino-1-oxa-8-azaspiro[4.5]decane-8-carboxylate?
ethyl 3-hydroxyimino-1-oxa-8-azaspiro[4.5]decane-8-carboxylate has a molecular weight of 242.27 g/mol, XLogP of 1.23, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-hydroxyimino-1-oxa-8-azaspiro[4.5]decane-8-carboxylate is sourced from PubChem (CID 74043784), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).