4-[(3E)-4-methylhexa-1,3,5-trien-2-yl]morpholine

C11H17NO — CID 142339029

IUPAC4-[(3E)-4-methylhexa-1,3,5-trien-2-yl]morpholine
SMILESC=C/C(C)=C/C(=C)N1CCOCC1
InChIInChI=1S/C11H17NO/c1-4-10(2)9-11(3)12-5-7-13-8-6-12/h4,9H,1,3,5-8H2,2H3/b10-9+
InChIKeyKTGRGUHMXJORCE-MDZDMXLPSA-N
MW179.26 g/mol
LogP1.96
Rot. Bonds3

About 4-[(3E)-4-methylhexa-1,3,5-trien-2-yl]morpholine

4-[(3E)-4-methylhexa-1,3,5-trien-2-yl]morpholine (PubChem CID 142339029) has the molecular formula C11H17NO and a molecular weight of 179.26 g/mol. Its IUPAC name is 4-[(3E)-4-methylhexa-1,3,5-trien-2-yl]morpholine.

Molecular Properties

Compound Name4-[(3E)-4-methylhexa-1,3,5-trien-2-yl]morpholine
PubChem CID142339029
Molecular FormulaC11H17NO
Molecular Weight179.26 g/mol
Exact Mass179.13
IUPAC Name4-[(3E)-4-methylhexa-1,3,5-trien-2-yl]morpholine
SMILESC=C/C(C)=C/C(=C)N1CCOCC1
InChIInChI=1S/C11H17NO/c1-4-10(2)9-11(3)12-5-7-13-8-6-12/h4,9H,1,3,5-8H2,2H3/b10-9+
InChIKeyKTGRGUHMXJORCE-MDZDMXLPSA-N
XLogP1.96
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.26
LogP ≤ 51.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

Morpholine, 4-(3-methyl-1,3-butadienyl)-
CID 5372438
4-[(1E,3E)-2-methylpenta-1,3-dienyl]morpholine
CID 10855873
4-(3-Methylbuta-1,3-dien-2-yl)morpholine
CID 11116257
4-[(2E)-5-methylhexa-2,4-dien-2-yl]morpholine
CID 12794203
4-(4,4-Dimethylcyclohexa-1,5-dien-1-yl)morpholine
CID 12856181
4-[(2E,4E)-6-methyl-5-(trifluoromethyl)hepta-2,4,6-trien-3-yl]morpholine
CID 144253116
4-[(2Z,4Z)-2-fluoro-6-methylhepta-2,4,6-trien-3-yl]morpholine
CID 166687859
4-(5-Ethyl-7-fluorocyclohepta-1,4,6-trien-1-yl)morpholine
CID 167284429
4-[(3E)-5-methoxy-3-methylpenta-1,3-dien-2-yl]morpholine
CID 10932405
4-[(1E,3E)-3-methylhexa-1,3-dienyl]morpholine
CID 12509071
4-[(1E,3E)-hexa-1,3-dienyl]morpholine
CID 15665729
4-(1-Cyclopenta-2,4-dien-1-ylideneethyl)morpholine
CID 85658611

Frequently Asked Questions

What is the IUPAC name of 4-[(3E)-4-methylhexa-1,3,5-trien-2-yl]morpholine?
The IUPAC name of 4-[(3E)-4-methylhexa-1,3,5-trien-2-yl]morpholine (CID 142339029) is 4-[(3E)-4-methylhexa-1,3,5-trien-2-yl]morpholine.
What is the SMILES notation for 4-[(3E)-4-methylhexa-1,3,5-trien-2-yl]morpholine?
The canonical SMILES for 4-[(3E)-4-methylhexa-1,3,5-trien-2-yl]morpholine is C=C/C(C)=C/C(=C)N1CCOCC1.
What is the InChIKey of 4-[(3E)-4-methylhexa-1,3,5-trien-2-yl]morpholine?
The InChIKey is KTGRGUHMXJORCE-MDZDMXLPSA-N. The full InChI is InChI=1S/C11H17NO/c1-4-10(2)9-11(3)12-5-7-13-8-6-12/h4,9H,1,3,5-8H2,2H3/b10-9+.
What are the key properties of 4-[(3E)-4-methylhexa-1,3,5-trien-2-yl]morpholine?
4-[(3E)-4-methylhexa-1,3,5-trien-2-yl]morpholine has a molecular weight of 179.26 g/mol, XLogP of 1.96, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(3E)-4-methylhexa-1,3,5-trien-2-yl]morpholine is sourced from PubChem (CID 142339029), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).