4-[(2Z,4E)-6-methylideneocta-2,4-dien-4-yl]morpholine

C13H21NO — CID 144607333

IUPAC4-[(2Z,4E)-6-methylideneocta-2,4-dien-4-yl]morpholine
SMILESC=C(/C=C(\C=C/C)N1CCOCC1)CC
InChIInChI=1S/C13H21NO/c1-4-6-13(11-12(3)5-2)14-7-9-15-10-8-14/h4,6,11H,3,5,7-10H2,1-2H3/b6-4-,13-11+
InChIKeyBFCNWVPZMVWRSC-FJZQHTSQSA-N
MW207.32 g/mol
LogP2.74
Rot. Bonds4

About 4-[(2Z,4E)-6-methylideneocta-2,4-dien-4-yl]morpholine

4-[(2Z,4E)-6-methylideneocta-2,4-dien-4-yl]morpholine (PubChem CID 144607333) has the molecular formula C13H21NO and a molecular weight of 207.32 g/mol. Its IUPAC name is 4-[(2Z,4E)-6-methylideneocta-2,4-dien-4-yl]morpholine.

Molecular Properties

Compound Name4-[(2Z,4E)-6-methylideneocta-2,4-dien-4-yl]morpholine
PubChem CID144607333
Molecular FormulaC13H21NO
Molecular Weight207.32 g/mol
Exact Mass207.16
IUPAC Name4-[(2Z,4E)-6-methylideneocta-2,4-dien-4-yl]morpholine
SMILESC=C(/C=C(\C=C/C)N1CCOCC1)CC
InChIInChI=1S/C13H21NO/c1-4-6-13(11-12(3)5-2)14-7-9-15-10-8-14/h4,6,11H,3,5,7-10H2,1-2H3/b6-4-,13-11+
InChIKeyBFCNWVPZMVWRSC-FJZQHTSQSA-N
XLogP2.74
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.32
LogP ≤ 52.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

4-[(2E,4Z)-6-methylhepta-2,4,6-trien-3-yl]morpholine
CID 142175589
4-[(2E,4Z)-6-bromohepta-2,4,6-trien-3-yl]morpholine
CID 155748079
ethane;(E)-1-morpholin-4-ylbut-2-en-1-one
CID 143019024
(Z)-2-morpholin-4-ylbut-2-enal
CID 11367132
(E)-N-(morpholine-4-carbothioyl)but-2-enamide
CID 13494821
1-[4-[(2Z,4E)-6-methylidene-4-morpholin-4-yl-7-prop-1-enylideneundeca-2,4-dienyl]piperazin-1-yl]pentan-2-one;propane
CID 143071712
(E)-1-morpholin-4-ylpent-3-en-2-one
CID 146386174
(1Z,3E)-1-morpholin-4-yl-N,N-dipropylpenta-1,3-dien-1-amine
CID 134923533
4-[(E)-hept-3-en-4-yl]morpholine
CID 6513160
4-[(3E,5Z)-7-bromohepta-1,3,5-trien-4-yl]morpholine
CID 138711415
(2E,3Z)-2-ethylidene-5-methyl-1-morpholin-4-ylhexa-3,5-dien-1-one
CID 166764494
N-[(1Z)-3-methylbuta-1,3-dienyl]-1-morpholin-4-ylethanimine
CID 170440486

Frequently Asked Questions

What is the IUPAC name of 4-[(2Z,4E)-6-methylideneocta-2,4-dien-4-yl]morpholine?
The IUPAC name of 4-[(2Z,4E)-6-methylideneocta-2,4-dien-4-yl]morpholine (CID 144607333) is 4-[(2Z,4E)-6-methylideneocta-2,4-dien-4-yl]morpholine.
What is the SMILES notation for 4-[(2Z,4E)-6-methylideneocta-2,4-dien-4-yl]morpholine?
The canonical SMILES for 4-[(2Z,4E)-6-methylideneocta-2,4-dien-4-yl]morpholine is C=C(/C=C(\C=C/C)N1CCOCC1)CC.
What is the InChIKey of 4-[(2Z,4E)-6-methylideneocta-2,4-dien-4-yl]morpholine?
The InChIKey is BFCNWVPZMVWRSC-FJZQHTSQSA-N. The full InChI is InChI=1S/C13H21NO/c1-4-6-13(11-12(3)5-2)14-7-9-15-10-8-14/h4,6,11H,3,5,7-10H2,1-2H3/b6-4-,13-11+.
What are the key properties of 4-[(2Z,4E)-6-methylideneocta-2,4-dien-4-yl]morpholine?
4-[(2Z,4E)-6-methylideneocta-2,4-dien-4-yl]morpholine has a molecular weight of 207.32 g/mol, XLogP of 2.74, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2Z,4E)-6-methylideneocta-2,4-dien-4-yl]morpholine is sourced from PubChem (CID 144607333), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).