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

C16H25NO — CID 144539911

IUPAC3-[(Z)-but-1-enyl]-8-methyl-4-[(Z)-prop-1-enyl]-1-oxa-8-azaspiro[4.5]dec-3-ene
SMILESC/C=C\C1=C(/C=C\CC)COC12CCN(C)CC2
InChIInChI=1S/C16H25NO/c1-4-6-8-14-13-18-16(15(14)7-5-2)9-11-17(3)12-10-16/h5-8H,4,9-13H2,1-3H3/b7-5-,8-6-
InChIKeySIEQSKCXQIRTAW-SFECMWDFSA-N
MW247.38 g/mol
LogP3.32
Rot. Bonds3

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

3-[(Z)-but-1-enyl]-8-methyl-4-[(Z)-prop-1-enyl]-1-oxa-8-azaspiro[4.5]dec-3-ene (PubChem CID 144539911) has the molecular formula C16H25NO and a molecular weight of 247.38 g/mol. Its IUPAC name is 3-[(Z)-but-1-enyl]-8-methyl-4-[(Z)-prop-1-enyl]-1-oxa-8-azaspiro[4.5]dec-3-ene.

Molecular Properties

Compound Name3-[(Z)-but-1-enyl]-8-methyl-4-[(Z)-prop-1-enyl]-1-oxa-8-azaspiro[4.5]dec-3-ene
PubChem CID144539911
Molecular FormulaC16H25NO
Molecular Weight247.38 g/mol
Exact Mass247.19
IUPAC Name3-[(Z)-but-1-enyl]-8-methyl-4-[(Z)-prop-1-enyl]-1-oxa-8-azaspiro[4.5]dec-3-ene
SMILESC/C=C\C1=C(/C=C\CC)COC12CCN(C)CC2
InChIInChI=1S/C16H25NO/c1-4-6-8-14-13-18-16(15(14)7-5-2)9-11-17(3)12-10-16/h5-8H,4,9-13H2,1-3H3/b7-5-,8-6-
InChIKeySIEQSKCXQIRTAW-SFECMWDFSA-N
XLogP3.32
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.38
LogP ≤ 53.32
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
9-Methyl-1-oxa-9-azaspiro[5.5]undec-3-ene
CID 21050545
N-ethyl-4-(4-hepta-2,4,6-trien-2-yl-1-methylpiperidin-4-yl)oxy-N,4-dimethylpentan-2-amine
CID 90970266
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
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
1-[2-[4-(2-Methylbutan-2-yl)cyclohexa-2,4-dien-1-yl]oxyethyl]piperidine
CID 141773607
4-[(3Z)-5-(methoxymethyl)hexa-1,3,5-trien-2-yl]oxy-1-methylpiperidine
CID 142009440

Frequently Asked Questions

What is the IUPAC name of 3-[(Z)-but-1-enyl]-8-methyl-4-[(Z)-prop-1-enyl]-1-oxa-8-azaspiro[4.5]dec-3-ene?
The IUPAC name of 3-[(Z)-but-1-enyl]-8-methyl-4-[(Z)-prop-1-enyl]-1-oxa-8-azaspiro[4.5]dec-3-ene (CID 144539911) is 3-[(Z)-but-1-enyl]-8-methyl-4-[(Z)-prop-1-enyl]-1-oxa-8-azaspiro[4.5]dec-3-ene.
What is the SMILES notation for 3-[(Z)-but-1-enyl]-8-methyl-4-[(Z)-prop-1-enyl]-1-oxa-8-azaspiro[4.5]dec-3-ene?
The canonical SMILES for 3-[(Z)-but-1-enyl]-8-methyl-4-[(Z)-prop-1-enyl]-1-oxa-8-azaspiro[4.5]dec-3-ene is C/C=C\C1=C(/C=C\CC)COC12CCN(C)CC2.
What is the InChIKey of 3-[(Z)-but-1-enyl]-8-methyl-4-[(Z)-prop-1-enyl]-1-oxa-8-azaspiro[4.5]dec-3-ene?
The InChIKey is SIEQSKCXQIRTAW-SFECMWDFSA-N. The full InChI is InChI=1S/C16H25NO/c1-4-6-8-14-13-18-16(15(14)7-5-2)9-11-17(3)12-10-16/h5-8H,4,9-13H2,1-3H3/b7-5-,8-6-.
What are the key properties of 3-[(Z)-but-1-enyl]-8-methyl-4-[(Z)-prop-1-enyl]-1-oxa-8-azaspiro[4.5]dec-3-ene?
3-[(Z)-but-1-enyl]-8-methyl-4-[(Z)-prop-1-enyl]-1-oxa-8-azaspiro[4.5]dec-3-ene has a molecular weight of 247.38 g/mol, XLogP of 3.32, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(Z)-but-1-enyl]-8-methyl-4-[(Z)-prop-1-enyl]-1-oxa-8-azaspiro[4.5]dec-3-ene is sourced from PubChem (CID 144539911), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).