2-hexa-1,3,5-trien-3-yl-6-methylmorpholine

C11H17NO — CID 123662227

IUPAC2-hexa-1,3,5-trien-3-yl-6-methylmorpholine
SMILESC=CC=C(C=C)C1CNCC(C)O1
InChIInChI=1S/C11H17NO/c1-4-6-10(5-2)11-8-12-7-9(3)13-11/h4-6,9,11-12H,1-2,7-8H2,3H3
InChIKeyOOPRRUKXIHWCAI-UHFFFAOYSA-N
MW179.26 g/mol
LogP1.66
Rot. Bonds3

About 2-hexa-1,3,5-trien-3-yl-6-methylmorpholine

2-hexa-1,3,5-trien-3-yl-6-methylmorpholine (PubChem CID 123662227) has the molecular formula C11H17NO and a molecular weight of 179.26 g/mol. Its IUPAC name is 2-hexa-1,3,5-trien-3-yl-6-methylmorpholine.

Molecular Properties

Compound Name2-hexa-1,3,5-trien-3-yl-6-methylmorpholine
PubChem CID123662227
Molecular FormulaC11H17NO
Molecular Weight179.26 g/mol
Exact Mass179.13
IUPAC Name2-hexa-1,3,5-trien-3-yl-6-methylmorpholine
SMILESC=CC=C(C=C)C1CNCC(C)O1
InChIInChI=1S/C11H17NO/c1-4-6-10(5-2)11-8-12-7-9(3)13-11/h4-6,9,11-12H,1-2,7-8H2,3H3
InChIKeyOOPRRUKXIHWCAI-UHFFFAOYSA-N
XLogP1.66
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.26
LogP ≤ 51.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-[4-[(E)-2-fluoro-3-methylpent-1-enyl]-5-methyl-3,6-dihydro-2H-pyran-6-yl]-N-methylmethanamine
CID 129015871
(E,2S)-4-fluoro-2-methoxy-N-methyl-3-methylidenehex-4-en-1-amine
CID 134224603
(E,2R)-4-fluoro-2-methoxy-N-methyl-3-methylidenehex-4-en-1-amine
CID 134224605
(4E)-2-ethoxy-4-fluoro-N-methyl-3-propan-2-ylidenehepta-4,6-dien-1-amine
CID 142279471
1-[5-ethenyl-4-(1-fluoroethenyl)-3,6-dihydro-2H-pyran-6-yl]-N-methylmethanamine
CID 142279546
N-[[5-ethenyl-4-(1-fluoroethenyl)-3,6-dihydro-2H-pyran-6-yl]methyl]propan-1-amine
CID 145138560
2-(4-Fluorocyclohexa-1,5-dien-1-yl)morpholine
CID 147833140
2,2-difluoro-6-[(3Z)-penta-1,3-dien-2-yl]morpholine
CID 177151938
6-Cyclohexa-1,5-dien-1-yl-2,2-difluoromorpholine
CID 178115857
2-(1-Methyl-1,2,5,6-tetrahydropyridin-3-yl)morpholine
CID 16736003
2-[(E)-prop-1-enyl]morpholin-4-ium
CID 166440654
1-[(3S,6S)-4,5-bis(ethenyl)-3-fluoro-3,6-dihydro-2H-pyran-6-yl]-N-methylmethanamine
CID 142279477

Frequently Asked Questions

What is the IUPAC name of 2-hexa-1,3,5-trien-3-yl-6-methylmorpholine?
The IUPAC name of 2-hexa-1,3,5-trien-3-yl-6-methylmorpholine (CID 123662227) is 2-hexa-1,3,5-trien-3-yl-6-methylmorpholine.
What is the SMILES notation for 2-hexa-1,3,5-trien-3-yl-6-methylmorpholine?
The canonical SMILES for 2-hexa-1,3,5-trien-3-yl-6-methylmorpholine is C=CC=C(C=C)C1CNCC(C)O1.
What is the InChIKey of 2-hexa-1,3,5-trien-3-yl-6-methylmorpholine?
The InChIKey is OOPRRUKXIHWCAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17NO/c1-4-6-10(5-2)11-8-12-7-9(3)13-11/h4-6,9,11-12H,1-2,7-8H2,3H3.
What are the key properties of 2-hexa-1,3,5-trien-3-yl-6-methylmorpholine?
2-hexa-1,3,5-trien-3-yl-6-methylmorpholine has a molecular weight of 179.26 g/mol, XLogP of 1.66, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hexa-1,3,5-trien-3-yl-6-methylmorpholine is sourced from PubChem (CID 123662227), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).