(4E)-3-ethyl-4-ethylidene-1-oxa-8-azaspiro[4.5]decane

C12H21NO — CID 137428982

IUPAC(4E)-3-ethyl-4-ethylidene-1-oxa-8-azaspiro[4.5]decane
SMILESC/C=C1\C(CC)COC12CCNCC2
InChIInChI=1S/C12H21NO/c1-3-10-9-14-12(11(10)4-2)5-7-13-8-6-12/h4,10,13H,3,5-9H2,1-2H3/b11-4+
InChIKeyPWLKOQLCYIGGJZ-NYYWCZLTSA-N
MW195.31 g/mol
LogP2.11
Rot. Bonds1

About (4E)-3-ethyl-4-ethylidene-1-oxa-8-azaspiro[4.5]decane

(4E)-3-ethyl-4-ethylidene-1-oxa-8-azaspiro[4.5]decane (PubChem CID 137428982) has the molecular formula C12H21NO and a molecular weight of 195.31 g/mol. Its IUPAC name is (4E)-3-ethyl-4-ethylidene-1-oxa-8-azaspiro[4.5]decane.

Molecular Properties

Compound Name(4E)-3-ethyl-4-ethylidene-1-oxa-8-azaspiro[4.5]decane
PubChem CID137428982
Molecular FormulaC12H21NO
Molecular Weight195.31 g/mol
Exact Mass195.16
IUPAC Name(4E)-3-ethyl-4-ethylidene-1-oxa-8-azaspiro[4.5]decane
SMILESC/C=C1\C(CC)COC12CCNCC2
InChIInChI=1S/C12H21NO/c1-3-10-9-14-12(11(10)4-2)5-7-13-8-6-12/h4,10,13H,3,5-9H2,1-2H3/b11-4+
InChIKeyPWLKOQLCYIGGJZ-NYYWCZLTSA-N
XLogP2.11
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.31
LogP ≤ 52.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

5-fluorospiro[3a,6-dihydro-1H-2-benzofuran-3,4'-piperidine]
CID 69574770
5-fluoro-1-(2-methylpropyl)spiro[3a,6-dihydro-1H-2-benzofuran-3,4'-piperidine]
CID 69859690
6-Fluoro-1,1-dimethylspiro[4,5-dihydro-2-benzofuran-3,4'-piperidine]
CID 69939519
(3Z)-3-ethylidene-2,8-dimethyl-1-oxa-8-azaspiro[4.5]decane
CID 19939730
3-Ethylidene-2,8-dimethyl-1-oxa-8-azaspiro[4.5]decane
CID 54297161
spiro[3,7a-dihydro-1H-cyclopenta[c]pyran-5,4'-piperidine]
CID 66728485
Methyl 2-(2,2-dimethyl-1-oxa-8-azaspiro[4.5]decan-3-ylidene)acetate
CID 67902923
spiro[3a,6-dihydro-1H-2-benzofuran-3,4'-piperidine]
CID 69871499
4-Methylidene-1-oxa-8-azaspiro[4.5]decane
CID 89145380
8-Methyl-3-methylidene-4-pentylidene-1-oxa-8-azaspiro[4.5]decane
CID 137428847
(4E)-4-butylidene-8-methyl-3-methylidene-1-oxa-8-azaspiro[4.5]decane
CID 137428979
Spiro[1,7-dihydrocyclohepta[c]furan-3,4'-piperidine]
CID 137428981

Frequently Asked Questions

What is the IUPAC name of (4E)-3-ethyl-4-ethylidene-1-oxa-8-azaspiro[4.5]decane?
The IUPAC name of (4E)-3-ethyl-4-ethylidene-1-oxa-8-azaspiro[4.5]decane (CID 137428982) is (4E)-3-ethyl-4-ethylidene-1-oxa-8-azaspiro[4.5]decane.
What is the SMILES notation for (4E)-3-ethyl-4-ethylidene-1-oxa-8-azaspiro[4.5]decane?
The canonical SMILES for (4E)-3-ethyl-4-ethylidene-1-oxa-8-azaspiro[4.5]decane is C/C=C1\C(CC)COC12CCNCC2.
What is the InChIKey of (4E)-3-ethyl-4-ethylidene-1-oxa-8-azaspiro[4.5]decane?
The InChIKey is PWLKOQLCYIGGJZ-NYYWCZLTSA-N. The full InChI is InChI=1S/C12H21NO/c1-3-10-9-14-12(11(10)4-2)5-7-13-8-6-12/h4,10,13H,3,5-9H2,1-2H3/b11-4+.
What are the key properties of (4E)-3-ethyl-4-ethylidene-1-oxa-8-azaspiro[4.5]decane?
(4E)-3-ethyl-4-ethylidene-1-oxa-8-azaspiro[4.5]decane has a molecular weight of 195.31 g/mol, XLogP of 2.11, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4E)-3-ethyl-4-ethylidene-1-oxa-8-azaspiro[4.5]decane is sourced from PubChem (CID 137428982), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).