4-(5-methoxyhexa-3,5-dien-3-yl)morpholine

C11H19NO2 — CID 123740206

IUPAC4-(5-methoxyhexa-3,5-dien-3-yl)morpholine
SMILESC=C(C=C(CC)N1CCOCC1)OC
InChIInChI=1S/C11H19NO2/c1-4-11(9-10(2)13-3)12-5-7-14-8-6-12/h9H,2,4-8H2,1,3H3
InChIKeyFNCBWTUOSNLGBB-UHFFFAOYSA-N
MW197.28 g/mol
LogP1.77
Rot. Bonds4

About 4-(5-methoxyhexa-3,5-dien-3-yl)morpholine

4-(5-methoxyhexa-3,5-dien-3-yl)morpholine (PubChem CID 123740206) has the molecular formula C11H19NO2 and a molecular weight of 197.28 g/mol. Its IUPAC name is 4-(5-methoxyhexa-3,5-dien-3-yl)morpholine.

Molecular Properties

Compound Name4-(5-methoxyhexa-3,5-dien-3-yl)morpholine
PubChem CID123740206
Molecular FormulaC11H19NO2
Molecular Weight197.28 g/mol
Exact Mass197.14
IUPAC Name4-(5-methoxyhexa-3,5-dien-3-yl)morpholine
SMILESC=C(C=C(CC)N1CCOCC1)OC
InChIInChI=1S/C11H19NO2/c1-4-11(9-10(2)13-3)12-5-7-14-8-6-12/h9H,2,4-8H2,1,3H3
InChIKeyFNCBWTUOSNLGBB-UHFFFAOYSA-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-(3,6-dihydro-2H-pyran-4-yl)morpholine
CID 10931845
4-[(3E)-5-methoxy-3-methylpenta-1,3-dien-2-yl]morpholine
CID 10932405
4-[3-(2-Methoxyethoxy)-5-methylcyclohexa-1,3-dien-1-yl]morpholine
CID 71067394
(E)-2-[(E)-[4-(3-hydroxypropyl)-2-methylidenemorpholin-3-ylidene]methyl]but-2-en-1-ol
CID 88303299
4-(2,2,5,5-Tetramethylfuran-3-yl)morpholine
CID 90241021
4-(4-Methoxyhexa-2,4-dien-3-yl)morpholine
CID 90799986
4-(4-Ethoxyhexa-2,4-dien-3-yl)morpholine
CID 91592386
6-methoxy-N-prop-1-en-2-yl-N-propylcyclohexa-1,5-dien-1-amine
CID 130420897
(2E,3E)-4-methyl-3-(2-methylpropylidene)-2-prop-2-enylidenemorpholine
CID 138531975
2-[(1E)-buta-1,3-dienyl]-4-propan-2-ylmorpholine
CID 139302734
CID 142025350
CID 142025350
4,7-dimethyl-3,8-dihydro-2H-cyclohepta[b][1,4]oxazine;ethane
CID 142474861

Frequently Asked Questions

What is the IUPAC name of 4-(5-methoxyhexa-3,5-dien-3-yl)morpholine?
The IUPAC name of 4-(5-methoxyhexa-3,5-dien-3-yl)morpholine (CID 123740206) is 4-(5-methoxyhexa-3,5-dien-3-yl)morpholine.
What is the SMILES notation for 4-(5-methoxyhexa-3,5-dien-3-yl)morpholine?
The canonical SMILES for 4-(5-methoxyhexa-3,5-dien-3-yl)morpholine is C=C(C=C(CC)N1CCOCC1)OC.
What is the InChIKey of 4-(5-methoxyhexa-3,5-dien-3-yl)morpholine?
The InChIKey is FNCBWTUOSNLGBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19NO2/c1-4-11(9-10(2)13-3)12-5-7-14-8-6-12/h9H,2,4-8H2,1,3H3.
What are the key properties of 4-(5-methoxyhexa-3,5-dien-3-yl)morpholine?
4-(5-methoxyhexa-3,5-dien-3-yl)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-(5-methoxyhexa-3,5-dien-3-yl)morpholine is sourced from PubChem (CID 123740206), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).