ethyl (3Z)-3-hydroxyimino-2-methyl-1-oxa-8-azaspiro[4.5]decane-8-carboxylate

C12H20N2O4 — CID 23356730

IUPACethyl (3Z)-3-hydroxyimino-2-methyl-1-oxa-8-azaspiro[4.5]decane-8-carboxylate
SMILESCCOC(=O)N1CCC2(CC1)C/C(=N/O)C(C)O2
InChIInChI=1S/C12H20N2O4/c1-3-17-11(15)14-6-4-12(5-7-14)8-10(13-16)9(2)18-12/h9,16H,3-8H2,1-2H3/b13-10-
InChIKeyGCVRATQDKFZYRV-RAXLEYEMSA-N
MW256.30 g/mol
LogP1.62
Rot. Bonds1

About ethyl (3Z)-3-hydroxyimino-2-methyl-1-oxa-8-azaspiro[4.5]decane-8-carboxylate

ethyl (3Z)-3-hydroxyimino-2-methyl-1-oxa-8-azaspiro[4.5]decane-8-carboxylate (PubChem CID 23356730) has the molecular formula C12H20N2O4 and a molecular weight of 256.30 g/mol. Its IUPAC name is ethyl (3Z)-3-hydroxyimino-2-methyl-1-oxa-8-azaspiro[4.5]decane-8-carboxylate.

Molecular Properties

Compound Nameethyl (3Z)-3-hydroxyimino-2-methyl-1-oxa-8-azaspiro[4.5]decane-8-carboxylate
PubChem CID23356730
Molecular FormulaC12H20N2O4
Molecular Weight256.30 g/mol
Exact Mass256.14
IUPAC Nameethyl (3Z)-3-hydroxyimino-2-methyl-1-oxa-8-azaspiro[4.5]decane-8-carboxylate
SMILESCCOC(=O)N1CCC2(CC1)C/C(=N/O)C(C)O2
InChIInChI=1S/C12H20N2O4/c1-3-17-11(15)14-6-4-12(5-7-14)8-10(13-16)9(2)18-12/h9,16H,3-8H2,1-2H3/b13-10-
InChIKeyGCVRATQDKFZYRV-RAXLEYEMSA-N
XLogP1.62
TPSA71.36 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.30
LogP ≤ 51.62
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 (3Z)-3-hydroxyimino-2-methyl-1-oxa-8-azaspiro[4.5]decane-8-carboxylate?
The IUPAC name of ethyl (3Z)-3-hydroxyimino-2-methyl-1-oxa-8-azaspiro[4.5]decane-8-carboxylate (CID 23356730) is ethyl (3Z)-3-hydroxyimino-2-methyl-1-oxa-8-azaspiro[4.5]decane-8-carboxylate.
What is the SMILES notation for ethyl (3Z)-3-hydroxyimino-2-methyl-1-oxa-8-azaspiro[4.5]decane-8-carboxylate?
The canonical SMILES for ethyl (3Z)-3-hydroxyimino-2-methyl-1-oxa-8-azaspiro[4.5]decane-8-carboxylate is CCOC(=O)N1CCC2(CC1)C/C(=N/O)C(C)O2.
What is the InChIKey of ethyl (3Z)-3-hydroxyimino-2-methyl-1-oxa-8-azaspiro[4.5]decane-8-carboxylate?
The InChIKey is GCVRATQDKFZYRV-RAXLEYEMSA-N. The full InChI is InChI=1S/C12H20N2O4/c1-3-17-11(15)14-6-4-12(5-7-14)8-10(13-16)9(2)18-12/h9,16H,3-8H2,1-2H3/b13-10-.
What are the key properties of ethyl (3Z)-3-hydroxyimino-2-methyl-1-oxa-8-azaspiro[4.5]decane-8-carboxylate?
ethyl (3Z)-3-hydroxyimino-2-methyl-1-oxa-8-azaspiro[4.5]decane-8-carboxylate has a molecular weight of 256.30 g/mol, XLogP of 1.62, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl (3Z)-3-hydroxyimino-2-methyl-1-oxa-8-azaspiro[4.5]decane-8-carboxylate is sourced from PubChem (CID 23356730), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).