4-[(2E)-2-ethenyl-5-methylhexa-2,4-dienyl]morpholine

C13H21NO — CID 144594985

IUPAC4-[(2E)-2-ethenyl-5-methylhexa-2,4-dienyl]morpholine
SMILESC=C/C(=C\C=C(C)C)CN1CCOCC1
InChIInChI=1S/C13H21NO/c1-4-13(6-5-12(2)3)11-14-7-9-15-10-8-14/h4-6H,1,7-11H2,2-3H3/b13-6+
InChIKeyFUOVAFHUDMUGGL-AWNIVKPZSA-N
MW207.32 g/mol
LogP2.40
Rot. Bonds4

About 4-[(2E)-2-ethenyl-5-methylhexa-2,4-dienyl]morpholine

4-[(2E)-2-ethenyl-5-methylhexa-2,4-dienyl]morpholine (PubChem CID 144594985) has the molecular formula C13H21NO and a molecular weight of 207.32 g/mol. Its IUPAC name is 4-[(2E)-2-ethenyl-5-methylhexa-2,4-dienyl]morpholine.

Molecular Properties

Compound Name4-[(2E)-2-ethenyl-5-methylhexa-2,4-dienyl]morpholine
PubChem CID144594985
Molecular FormulaC13H21NO
Molecular Weight207.32 g/mol
Exact Mass207.16
IUPAC Name4-[(2E)-2-ethenyl-5-methylhexa-2,4-dienyl]morpholine
SMILESC=C/C(=C\C=C(C)C)CN1CCOCC1
InChIInChI=1S/C13H21NO/c1-4-13(6-5-12(2)3)11-14-7-9-15-10-8-14/h4-6H,1,7-11H2,2-3H3/b13-6+
InChIKeyFUOVAFHUDMUGGL-AWNIVKPZSA-N
XLogP2.40
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 ≤ 52.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-[(2E)-2-ethenyl-5-methylhexa-2,4-dienyl]morpholine?
The IUPAC name of 4-[(2E)-2-ethenyl-5-methylhexa-2,4-dienyl]morpholine (CID 144594985) is 4-[(2E)-2-ethenyl-5-methylhexa-2,4-dienyl]morpholine.
What is the SMILES notation for 4-[(2E)-2-ethenyl-5-methylhexa-2,4-dienyl]morpholine?
The canonical SMILES for 4-[(2E)-2-ethenyl-5-methylhexa-2,4-dienyl]morpholine is C=C/C(=C\C=C(C)C)CN1CCOCC1.
What is the InChIKey of 4-[(2E)-2-ethenyl-5-methylhexa-2,4-dienyl]morpholine?
The InChIKey is FUOVAFHUDMUGGL-AWNIVKPZSA-N. The full InChI is InChI=1S/C13H21NO/c1-4-13(6-5-12(2)3)11-14-7-9-15-10-8-14/h4-6H,1,7-11H2,2-3H3/b13-6+.
What are the key properties of 4-[(2E)-2-ethenyl-5-methylhexa-2,4-dienyl]morpholine?
4-[(2E)-2-ethenyl-5-methylhexa-2,4-dienyl]morpholine has a molecular weight of 207.32 g/mol, XLogP of 2.40, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2E)-2-ethenyl-5-methylhexa-2,4-dienyl]morpholine is sourced from PubChem (CID 144594985), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).