4-[(1E,3Z)-3-ethoxypenta-1,3-dienyl]morpholine

C11H19NO2 — CID 88860280

IUPAC4-[(1E,3Z)-3-ethoxypenta-1,3-dienyl]morpholine
SMILESC/C=C(/C=C/N1CCOCC1)OCC
InChIInChI=1S/C11H19NO2/c1-3-11(14-4-2)5-6-12-7-9-13-10-8-12/h3,5-6H,4,7-10H2,1-2H3/b6-5+,11-3-
InChIKeyALPLJXFCZXNNCL-YRDVCAMUSA-N
MW197.28 g/mol
LogP1.77
Rot. Bonds4

About 4-[(1E,3Z)-3-ethoxypenta-1,3-dienyl]morpholine

4-[(1E,3Z)-3-ethoxypenta-1,3-dienyl]morpholine (PubChem CID 88860280) has the molecular formula C11H19NO2 and a molecular weight of 197.28 g/mol. Its IUPAC name is 4-[(1E,3Z)-3-ethoxypenta-1,3-dienyl]morpholine.

Molecular Properties

Compound Name4-[(1E,3Z)-3-ethoxypenta-1,3-dienyl]morpholine
PubChem CID88860280
Molecular FormulaC11H19NO2
Molecular Weight197.28 g/mol
Exact Mass197.14
IUPAC Name4-[(1E,3Z)-3-ethoxypenta-1,3-dienyl]morpholine
SMILESC/C=C(/C=C/N1CCOCC1)OCC
InChIInChI=1S/C11H19NO2/c1-3-11(14-4-2)5-6-12-7-9-13-10-8-12/h3,5-6H,4,7-10H2,1-2H3/b6-5+,11-3-
InChIKeyALPLJXFCZXNNCL-YRDVCAMUSA-N
XLogP1.77
TPSA21.70 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.28
LogP ≤ 51.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

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Related Compounds

4-(4-Methoxyhexa-2,4-dien-3-yl)morpholine
CID 90799986
4-(2-Penta-2,4-dien-2-yloxyethyl)morpholine
CID 91541811
4-(2-Buta-1,3-dien-2-yloxyethyl)morpholine
CID 91550852
4-(4-Ethoxyhexa-2,4-dien-3-yl)morpholine
CID 91592386
4-[3-(4-Methoxyhexa-1,3,5-trien-3-yloxy)propyl]morpholine
CID 123223918
3-But-2-enylidene-4-methyl-2-(3-methylbut-2-enylidene)morpholine
CID 123995320
4-[3-[(3Z)-penta-1,3-dien-2-yl]oxypropyl]morpholine
CID 138716471
ethene;(2E)-4-ethenyl-2-ethylidene-5-methyl-3-methylidenemorpholine
CID 141805781
ethene;(2E)-4-ethenyl-2-ethylidene-5-methyl-3-methylidenemorpholine;propane
CID 141805786
ethane;N-ethyl-2-[(3E)-hexa-1,3,5-trien-3-yl]oxy-N-methylethanamine
CID 142116756
4-[2-(1lambda3-Iodacyclohexa-1,3,5-trien-4-yloxy)ethyl]morpholine
CID 142742082
4-[2-[(3E)-6-methylhepta-1,3,5-trien-3-yl]oxyethyl]morpholine
CID 143052647

Frequently Asked Questions

What is the IUPAC name of 4-[(1E,3Z)-3-ethoxypenta-1,3-dienyl]morpholine?
The IUPAC name of 4-[(1E,3Z)-3-ethoxypenta-1,3-dienyl]morpholine (CID 88860280) is 4-[(1E,3Z)-3-ethoxypenta-1,3-dienyl]morpholine.
What is the SMILES notation for 4-[(1E,3Z)-3-ethoxypenta-1,3-dienyl]morpholine?
The canonical SMILES for 4-[(1E,3Z)-3-ethoxypenta-1,3-dienyl]morpholine is C/C=C(/C=C/N1CCOCC1)OCC.
What is the InChIKey of 4-[(1E,3Z)-3-ethoxypenta-1,3-dienyl]morpholine?
The InChIKey is ALPLJXFCZXNNCL-YRDVCAMUSA-N. The full InChI is InChI=1S/C11H19NO2/c1-3-11(14-4-2)5-6-12-7-9-13-10-8-12/h3,5-6H,4,7-10H2,1-2H3/b6-5+,11-3-.
What are the key properties of 4-[(1E,3Z)-3-ethoxypenta-1,3-dienyl]morpholine?
4-[(1E,3Z)-3-ethoxypenta-1,3-dienyl]morpholine has a molecular weight of 197.28 g/mol, XLogP of 1.77, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(1E,3Z)-3-ethoxypenta-1,3-dienyl]morpholine is sourced from PubChem (CID 88860280), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).