4-[(4E)-4-ethenyl-3-methoxyhepta-4,6-dienyl]morpholine

C14H23NO2 — CID 143815373

IUPAC4-[(4E)-4-ethenyl-3-methoxyhepta-4,6-dienyl]morpholine
SMILESC=C/C=C(\C=C)C(CCN1CCOCC1)OC
InChIInChI=1S/C14H23NO2/c1-4-6-13(5-2)14(16-3)7-8-15-9-11-17-12-10-15/h4-6,14H,1-2,7-12H2,3H3/b13-6+
InChIKeyMWRLAWHBPLNIKL-AWNIVKPZSA-N
MW237.34 g/mol
LogP2.02
Rot. Bonds7

About 4-[(4E)-4-ethenyl-3-methoxyhepta-4,6-dienyl]morpholine

4-[(4E)-4-ethenyl-3-methoxyhepta-4,6-dienyl]morpholine (PubChem CID 143815373) has the molecular formula C14H23NO2 and a molecular weight of 237.34 g/mol. Its IUPAC name is 4-[(4E)-4-ethenyl-3-methoxyhepta-4,6-dienyl]morpholine.

Molecular Properties

Compound Name4-[(4E)-4-ethenyl-3-methoxyhepta-4,6-dienyl]morpholine
PubChem CID143815373
Molecular FormulaC14H23NO2
Molecular Weight237.34 g/mol
Exact Mass237.17
IUPAC Name4-[(4E)-4-ethenyl-3-methoxyhepta-4,6-dienyl]morpholine
SMILESC=C/C=C(\C=C)C(CCN1CCOCC1)OC
InChIInChI=1S/C14H23NO2/c1-4-6-13(5-2)14(16-3)7-8-15-9-11-17-12-10-15/h4-6,14H,1-2,7-12H2,3H3/b13-6+
InChIKeyMWRLAWHBPLNIKL-AWNIVKPZSA-N
XLogP2.02
TPSA21.70 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.34
LogP ≤ 52.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-methyl-4-[(3Z)-5-(trifluoromethoxymethyl)hexa-1,3,5-trien-2-yl]oxypiperidine
CID 142009799
4-(4-Fluorocyclohexa-2,4-dien-1-yl)oxy-1-methylpiperidine
CID 143392129
4-[2-[4-(Difluoromethyl)-5-methylcyclohexa-2,4-dien-1-yl]oxyethyl]morpholine
CID 163636515
4-Methyl-2-oct-2-en-2-ylmorpholine
CID 70610956
1-[2-[(2E,4Z)-4-ethylhexa-2,4-dien-3-yl]oxyethyl]piperidine
CID 89584110
4-[2-[1-(2-Methoxycyclohexa-1,5-dien-1-yl)ethoxy]ethyl]morpholine
CID 89688793
N-[(5-methyl-7-oxabicyclo[4.1.0]hepta-2,4-dien-1-yl)methyl]-N-propylpropan-1-amine
CID 90097566
2-Hepta-1,3,5-trien-2-yl-4-methylmorpholine
CID 90729864
1-[2-(7-Methoxyocta-1,3,6-trien-2-yloxy)ethyl]piperidine
CID 90905041
2-(3-Bicyclo[4.1.0]hepta-2,4-dienyl)-4-ethylmorpholine
CID 91399277
(2R)-4-(cyclohexa-1,3-dien-1-ylmethyl)-2-ethylmorpholine
CID 117906528
1-[2-(4-Ethylhexa-2,4-dien-3-yloxy)ethyl]piperidine
CID 123636866

Frequently Asked Questions

What is the IUPAC name of 4-[(4E)-4-ethenyl-3-methoxyhepta-4,6-dienyl]morpholine?
The IUPAC name of 4-[(4E)-4-ethenyl-3-methoxyhepta-4,6-dienyl]morpholine (CID 143815373) is 4-[(4E)-4-ethenyl-3-methoxyhepta-4,6-dienyl]morpholine.
What is the SMILES notation for 4-[(4E)-4-ethenyl-3-methoxyhepta-4,6-dienyl]morpholine?
The canonical SMILES for 4-[(4E)-4-ethenyl-3-methoxyhepta-4,6-dienyl]morpholine is C=C/C=C(\C=C)C(CCN1CCOCC1)OC.
What is the InChIKey of 4-[(4E)-4-ethenyl-3-methoxyhepta-4,6-dienyl]morpholine?
The InChIKey is MWRLAWHBPLNIKL-AWNIVKPZSA-N. The full InChI is InChI=1S/C14H23NO2/c1-4-6-13(5-2)14(16-3)7-8-15-9-11-17-12-10-15/h4-6,14H,1-2,7-12H2,3H3/b13-6+.
What are the key properties of 4-[(4E)-4-ethenyl-3-methoxyhepta-4,6-dienyl]morpholine?
4-[(4E)-4-ethenyl-3-methoxyhepta-4,6-dienyl]morpholine has a molecular weight of 237.34 g/mol, XLogP of 2.02, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4E)-4-ethenyl-3-methoxyhepta-4,6-dienyl]morpholine is sourced from PubChem (CID 143815373), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).