8-ethyl-3-methyl-1-oxa-8-azaspiro[4.5]dec-3-ene

C11H19NO — CID 142848893

IUPAC8-ethyl-3-methyl-1-oxa-8-azaspiro[4.5]dec-3-ene
SMILESCCN1CCC2(C=C(C)CO2)CC1
InChIInChI=1S/C11H19NO/c1-3-12-6-4-11(5-7-12)8-10(2)9-13-11/h8H,3-7,9H2,1-2H3
InChIKeyKTCJIELVNRVVBZ-UHFFFAOYSA-N
MW181.28 g/mol
LogP1.82
Rot. Bonds1

About 8-ethyl-3-methyl-1-oxa-8-azaspiro[4.5]dec-3-ene

8-ethyl-3-methyl-1-oxa-8-azaspiro[4.5]dec-3-ene (PubChem CID 142848893) has the molecular formula C11H19NO and a molecular weight of 181.28 g/mol. Its IUPAC name is 8-ethyl-3-methyl-1-oxa-8-azaspiro[4.5]dec-3-ene.

Molecular Properties

Compound Name8-ethyl-3-methyl-1-oxa-8-azaspiro[4.5]dec-3-ene
PubChem CID142848893
Molecular FormulaC11H19NO
Molecular Weight181.28 g/mol
Exact Mass181.15
IUPAC Name8-ethyl-3-methyl-1-oxa-8-azaspiro[4.5]dec-3-ene
SMILESCCN1CCC2(C=C(C)CO2)CC1
InChIInChI=1S/C11H19NO/c1-3-12-6-4-11(5-7-12)8-10(2)9-13-11/h8H,3-7,9H2,1-2H3
InChIKeyKTCJIELVNRVVBZ-UHFFFAOYSA-N
XLogP1.82
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.28
LogP ≤ 51.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

5-ethyl-2,2,8,8-tetramethyl-10-oxa-5-azabicyclo[7.1.0]decane
CID 91349138
3,9-diethyl-3,9-diazaspiro[5.5]undecane
CID 20622591
4,9-diethyl-1-oxa-4,9-diazaspiro[5.5]undecane
CID 154672699
1'-ethylspiro[1H-2-benzofuran-3,4'-piperidine]
CID 10036300
7-ethyl-1-oxa-7-azaspiro[3.4]octane
CID 121247158
1-ethyl-4,4-dimethylpiperidine;hydrate
CID 178113144
ethyl 4-acetyl-1-ethylpiperidine-4-carboxylate
CID 141202232
1,4,7,10,13,16-hexaethyl-1,4,7,10,13,16-hexazacyclooctadecane
CID 66730221
8-ethyl-1,4-dioxa-8-azaspiro[4.5]decane;4-ethylmorpholine
CID 91090838
1,4-diethyl-4-iodopiperidine
CID 118535824
1-ethyl-4-(2,4,5-trimethylphenyl)piperidin-4-ol
CID 64984824
1-ethyl-4-methyl-4-phenylpiperidine
CID 70451148

Frequently Asked Questions

What is the IUPAC name of 8-ethyl-3-methyl-1-oxa-8-azaspiro[4.5]dec-3-ene?
The IUPAC name of 8-ethyl-3-methyl-1-oxa-8-azaspiro[4.5]dec-3-ene (CID 142848893) is 8-ethyl-3-methyl-1-oxa-8-azaspiro[4.5]dec-3-ene.
What is the SMILES notation for 8-ethyl-3-methyl-1-oxa-8-azaspiro[4.5]dec-3-ene?
The canonical SMILES for 8-ethyl-3-methyl-1-oxa-8-azaspiro[4.5]dec-3-ene is CCN1CCC2(C=C(C)CO2)CC1.
What is the InChIKey of 8-ethyl-3-methyl-1-oxa-8-azaspiro[4.5]dec-3-ene?
The InChIKey is KTCJIELVNRVVBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19NO/c1-3-12-6-4-11(5-7-12)8-10(2)9-13-11/h8H,3-7,9H2,1-2H3.
What are the key properties of 8-ethyl-3-methyl-1-oxa-8-azaspiro[4.5]dec-3-ene?
8-ethyl-3-methyl-1-oxa-8-azaspiro[4.5]dec-3-ene has a molecular weight of 181.28 g/mol, XLogP of 1.82, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 8-ethyl-3-methyl-1-oxa-8-azaspiro[4.5]dec-3-ene is sourced from PubChem (CID 142848893), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).