3-ethylidene-2,8-dimethyl-1-oxa-8-azaspiro[4.5]decane

C12H21NO — CID 54297161

IUPAC3-ethylidene-2,8-dimethyl-1-oxa-8-azaspiro[4.5]decane
SMILESCC=C1CC2(CCN(C)CC2)OC1C
InChIInChI=1S/C12H21NO/c1-4-11-9-12(14-10(11)2)5-7-13(3)8-6-12/h4,10H,5-9H2,1-3H3
InChIKeySBOXIRRKTOEDTN-UHFFFAOYSA-N
MW195.31 g/mol
LogP2.21
Rot. Bonds

About 3-ethylidene-2,8-dimethyl-1-oxa-8-azaspiro[4.5]decane

3-ethylidene-2,8-dimethyl-1-oxa-8-azaspiro[4.5]decane (PubChem CID 54297161) has the molecular formula C12H21NO and a molecular weight of 195.31 g/mol. Its IUPAC name is 3-ethylidene-2,8-dimethyl-1-oxa-8-azaspiro[4.5]decane.

Molecular Properties

Compound Name3-ethylidene-2,8-dimethyl-1-oxa-8-azaspiro[4.5]decane
PubChem CID54297161
Molecular FormulaC12H21NO
Molecular Weight195.31 g/mol
Exact Mass195.16
IUPAC Name3-ethylidene-2,8-dimethyl-1-oxa-8-azaspiro[4.5]decane
SMILESCC=C1CC2(CCN(C)CC2)OC1C
InChIInChI=1S/C12H21NO/c1-4-11-9-12(14-10(11)2)5-7-13(3)8-6-12/h4,10H,5-9H2,1-3H3
InChIKeySBOXIRRKTOEDTN-UHFFFAOYSA-N
XLogP2.21
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.31
LogP ≤ 52.21
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

2,8-Dimethyl-3-methylene-1-oxa-8-azaspiro(4,5)decane
CID 177233
(2R)-2,8-dimethyl-3-methylidene-1-oxa-8-azaspiro[4.5]decane
CID 10313386
2,8-Dimethyl-3-methylidene-1-oxa-8-azaspiro[4.5]decane;hydrochloride
CID 14852034
8-Methyl-3-methylidene-1-oxa-8-azaspiro[4.5]decane
CID 10352065
2-Ethyl-8-methyl-3-methylidene-1-oxa-8-azaspiro[4.5]decane
CID 10465259
(S)-2,8-Dimethyl-3-methylene-1-oxa-8-azaspiro[4.5]decane
CID 6918122
(3Z)-3-ethylidene-2,8-dimethyl-1-oxa-8-azaspiro[4.5]decane
CID 19939730
2-(2,8-Dimethyl-1-oxa-8-azaspiro[4.5]decan-3-ylidene)acetic acid
CID 67712408
methyl (2Z)-2-(8-methyl-1-oxa-8-azaspiro[4.5]decan-3-ylidene)acetate
CID 67712847
Methyl 2-(8-methyl-1-oxa-8-azaspiro[4.5]decan-3-ylidene)acetate
CID 67712851
1'-methylspiro[3a,7a-dihydro-3H-1-benzofuran-2,4'-piperidine]
CID 91338235
8-Methyl-3-methylidene-4-pentylidene-1-oxa-8-azaspiro[4.5]decane
CID 137428847

Frequently Asked Questions

What is the IUPAC name of 3-ethylidene-2,8-dimethyl-1-oxa-8-azaspiro[4.5]decane?
The IUPAC name of 3-ethylidene-2,8-dimethyl-1-oxa-8-azaspiro[4.5]decane (CID 54297161) is 3-ethylidene-2,8-dimethyl-1-oxa-8-azaspiro[4.5]decane.
What is the SMILES notation for 3-ethylidene-2,8-dimethyl-1-oxa-8-azaspiro[4.5]decane?
The canonical SMILES for 3-ethylidene-2,8-dimethyl-1-oxa-8-azaspiro[4.5]decane is CC=C1CC2(CCN(C)CC2)OC1C.
What is the InChIKey of 3-ethylidene-2,8-dimethyl-1-oxa-8-azaspiro[4.5]decane?
The InChIKey is SBOXIRRKTOEDTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21NO/c1-4-11-9-12(14-10(11)2)5-7-13(3)8-6-12/h4,10H,5-9H2,1-3H3.
What are the key properties of 3-ethylidene-2,8-dimethyl-1-oxa-8-azaspiro[4.5]decane?
3-ethylidene-2,8-dimethyl-1-oxa-8-azaspiro[4.5]decane has a molecular weight of 195.31 g/mol, XLogP of 2.21, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethylidene-2,8-dimethyl-1-oxa-8-azaspiro[4.5]decane is sourced from PubChem (CID 54297161), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).