3-ethenyl-8-methyl-4-[(Z)-prop-1-enyl]-1-oxa-8-azaspiro[4.5]dec-3-ene

C14H21NO — CID 144968736

IUPAC3-ethenyl-8-methyl-4-[(Z)-prop-1-enyl]-1-oxa-8-azaspiro[4.5]dec-3-ene
SMILESC=CC1=C(/C=C\C)C2(CCN(C)CC2)OC1
InChIInChI=1S/C14H21NO/c1-4-6-13-12(5-2)11-16-14(13)7-9-15(3)10-8-14/h4-6H,2,7-11H2,1,3H3/b6-4-
InChIKeyVYUWEOIRCTZRFC-XQRVVYSFSA-N
MW219.33 g/mol
LogP2.54
Rot. Bonds2

About 3-ethenyl-8-methyl-4-[(Z)-prop-1-enyl]-1-oxa-8-azaspiro[4.5]dec-3-ene

3-ethenyl-8-methyl-4-[(Z)-prop-1-enyl]-1-oxa-8-azaspiro[4.5]dec-3-ene (PubChem CID 144968736) has the molecular formula C14H21NO and a molecular weight of 219.33 g/mol. Its IUPAC name is 3-ethenyl-8-methyl-4-[(Z)-prop-1-enyl]-1-oxa-8-azaspiro[4.5]dec-3-ene.

Molecular Properties

Compound Name3-ethenyl-8-methyl-4-[(Z)-prop-1-enyl]-1-oxa-8-azaspiro[4.5]dec-3-ene
PubChem CID144968736
Molecular FormulaC14H21NO
Molecular Weight219.33 g/mol
Exact Mass219.16
IUPAC Name3-ethenyl-8-methyl-4-[(Z)-prop-1-enyl]-1-oxa-8-azaspiro[4.5]dec-3-ene
SMILESC=CC1=C(/C=C\C)C2(CCN(C)CC2)OC1
InChIInChI=1S/C14H21NO/c1-4-6-13-12(5-2)11-16-14(13)7-9-15(3)10-8-14/h4-6H,2,7-11H2,1,3H3/b6-4-
InChIKeyVYUWEOIRCTZRFC-XQRVVYSFSA-N
XLogP2.54
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.33
LogP ≤ 52.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

4-[(6-Fluorocyclohexa-1,5-dien-1-yl)methoxy]-1,4-dimethylpiperidine
CID 144279161
(4E,6E)-N-ethyl-7-fluoro-3-methoxy-N,3-dimethyl-4-[(Z)-prop-1-enyl]hepta-4,6-dien-1-amine
CID 144635931
4-(4-Fluorocyclohepta-1,3,5-trien-1-yl)-4-methoxy-1-methylpiperidine
CID 144635932
9-Methyl-1-oxa-9-azaspiro[5.5]undec-3-ene
CID 21050545
2-Ethylidene-8-methoxy-4-methyl-1-oxa-8-azaspiro[4.5]dec-3-ene
CID 90729212
8-ethyl-2-methyl-3,4-bis[(Z)-prop-1-enyl]-1-oxa-8-azaspiro[4.5]dec-3-ene
CID 130220142
8-tert-butyl-3,4-bis[(Z)-prop-1-enyl]-1-oxa-8-azaspiro[4.5]dec-3-ene
CID 130220365
8-Methyl-3-methylidene-4-pentylidene-1-oxa-8-azaspiro[4.5]decane
CID 137428847
N,N-diethyl-2-[(3E)-2-ethyl-3-ethylidene-4-methylideneoxolan-2-yl]ethanamine
CID 137428862
2-[(3E)-3-[(Z)-but-2-enylidene]-2-methyl-4-methylideneoxolan-2-yl]-N-ethyl-N-methylethanamine
CID 137428940
(4E)-4-butylidene-8-methyl-3-methylidene-1-oxa-8-azaspiro[4.5]decane
CID 137428979
3,8-Di(propan-2-yl)-1-oxa-8-azaspiro[4.5]dec-3-ene
CID 138601150

Frequently Asked Questions

What is the IUPAC name of 3-ethenyl-8-methyl-4-[(Z)-prop-1-enyl]-1-oxa-8-azaspiro[4.5]dec-3-ene?
The IUPAC name of 3-ethenyl-8-methyl-4-[(Z)-prop-1-enyl]-1-oxa-8-azaspiro[4.5]dec-3-ene (CID 144968736) is 3-ethenyl-8-methyl-4-[(Z)-prop-1-enyl]-1-oxa-8-azaspiro[4.5]dec-3-ene.
What is the SMILES notation for 3-ethenyl-8-methyl-4-[(Z)-prop-1-enyl]-1-oxa-8-azaspiro[4.5]dec-3-ene?
The canonical SMILES for 3-ethenyl-8-methyl-4-[(Z)-prop-1-enyl]-1-oxa-8-azaspiro[4.5]dec-3-ene is C=CC1=C(/C=C\C)C2(CCN(C)CC2)OC1.
What is the InChIKey of 3-ethenyl-8-methyl-4-[(Z)-prop-1-enyl]-1-oxa-8-azaspiro[4.5]dec-3-ene?
The InChIKey is VYUWEOIRCTZRFC-XQRVVYSFSA-N. The full InChI is InChI=1S/C14H21NO/c1-4-6-13-12(5-2)11-16-14(13)7-9-15(3)10-8-14/h4-6H,2,7-11H2,1,3H3/b6-4-.
What are the key properties of 3-ethenyl-8-methyl-4-[(Z)-prop-1-enyl]-1-oxa-8-azaspiro[4.5]dec-3-ene?
3-ethenyl-8-methyl-4-[(Z)-prop-1-enyl]-1-oxa-8-azaspiro[4.5]dec-3-ene has a molecular weight of 219.33 g/mol, XLogP of 2.54, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethenyl-8-methyl-4-[(Z)-prop-1-enyl]-1-oxa-8-azaspiro[4.5]dec-3-ene is sourced from PubChem (CID 144968736), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).