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

C11H19NO — CID 12509071

IUPAC4-[(1E,3E)-3-methylhexa-1,3-dienyl]morpholine
SMILESCC/C=C(C)/C=C/N1CCOCC1
InChIInChI=1S/C11H19NO/c1-3-4-11(2)5-6-12-7-9-13-10-8-12/h4-6H,3,7-10H2,1-2H3/b6-5+,11-4+
InChIKeyGPMYOHFFUBDELI-AORIPKDHSA-N
MW181.28 g/mol
LogP2.19
Rot. Bonds3

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

4-[(1E,3E)-3-methylhexa-1,3-dienyl]morpholine (PubChem CID 12509071) has the molecular formula C11H19NO and a molecular weight of 181.28 g/mol. Its IUPAC name is 4-[(1E,3E)-3-methylhexa-1,3-dienyl]morpholine.

Molecular Properties

Compound Name4-[(1E,3E)-3-methylhexa-1,3-dienyl]morpholine
PubChem CID12509071
Molecular FormulaC11H19NO
Molecular Weight181.28 g/mol
Exact Mass181.15
IUPAC Name4-[(1E,3E)-3-methylhexa-1,3-dienyl]morpholine
SMILESCC/C=C(C)/C=C/N1CCOCC1
InChIInChI=1S/C11H19NO/c1-3-4-11(2)5-6-12-7-9-13-10-8-12/h4-6H,3,7-10H2,1-2H3/b6-5+,11-4+
InChIKeyGPMYOHFFUBDELI-AORIPKDHSA-N
XLogP2.19
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.28
LogP ≤ 52.19
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-[(1E,3E)-3-methylhexa-1,3-dienyl]morpholine?
The IUPAC name of 4-[(1E,3E)-3-methylhexa-1,3-dienyl]morpholine (CID 12509071) is 4-[(1E,3E)-3-methylhexa-1,3-dienyl]morpholine.
What is the SMILES notation for 4-[(1E,3E)-3-methylhexa-1,3-dienyl]morpholine?
The canonical SMILES for 4-[(1E,3E)-3-methylhexa-1,3-dienyl]morpholine is CC/C=C(C)/C=C/N1CCOCC1.
What is the InChIKey of 4-[(1E,3E)-3-methylhexa-1,3-dienyl]morpholine?
The InChIKey is GPMYOHFFUBDELI-AORIPKDHSA-N. The full InChI is InChI=1S/C11H19NO/c1-3-4-11(2)5-6-12-7-9-13-10-8-12/h4-6H,3,7-10H2,1-2H3/b6-5+,11-4+.
What are the key properties of 4-[(1E,3E)-3-methylhexa-1,3-dienyl]morpholine?
4-[(1E,3E)-3-methylhexa-1,3-dienyl]morpholine has a molecular weight of 181.28 g/mol, XLogP of 2.19, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(1E,3E)-3-methylhexa-1,3-dienyl]morpholine is sourced from PubChem (CID 12509071), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).