5-[(2E,4E)-hepta-2,4-dienyl]-2-methylmorpholine

C12H21NO — CID 5375413

IUPAC5-[(2E,4E)-hepta-2,4-dienyl]-2-methylmorpholine
SMILESCC/C=C/C=C/CC1COC(C)CN1
InChIInChI=1S/C12H21NO/c1-3-4-5-6-7-8-12-10-14-11(2)9-13-12/h4-7,11-13H,3,8-10H2,1-2H3/b5-4+,7-6+
InChIKeyMHQRVZYGKHUXJD-YTXTXJHMSA-N
MW195.31 g/mol
LogP2.28
Rot. Bonds4

About 5-[(2E,4E)-hepta-2,4-dienyl]-2-methylmorpholine

5-[(2E,4E)-hepta-2,4-dienyl]-2-methylmorpholine (PubChem CID 5375413) has the molecular formula C12H21NO and a molecular weight of 195.31 g/mol. Its IUPAC name is 5-[(2E,4E)-hepta-2,4-dienyl]-2-methylmorpholine.

Molecular Properties

Compound Name5-[(2E,4E)-hepta-2,4-dienyl]-2-methylmorpholine
PubChem CID5375413
Molecular FormulaC12H21NO
Molecular Weight195.31 g/mol
Exact Mass195.16
IUPAC Name5-[(2E,4E)-hepta-2,4-dienyl]-2-methylmorpholine
SMILESCC/C=C/C=C/CC1COC(C)CN1
InChIInChI=1S/C12H21NO/c1-3-4-5-6-7-8-12-10-14-11(2)9-13-12/h4-7,11-13H,3,8-10H2,1-2H3/b5-4+,7-6+
InChIKeyMHQRVZYGKHUXJD-YTXTXJHMSA-N
XLogP2.28
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.31
LogP ≤ 52.28
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

(5E)-7-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-6-fluorohepta-1,5-dien-4-amine
CID 89154041
(5Z)-7-(3-fluoro-2,6-dimethylmorpholin-4-yl)hepta-1,5-dien-4-amine
CID 89214787
2-[(4-Fluorocyclohepta-1,3,6-trien-1-yl)methyl]-5-methylmorpholine
CID 91350994
3,4,4a,5-tetrahydro-2H-1,4-benzoxazine
CID 19765014
3-But-2-enylmorpholine
CID 54355890
2-But-2-enylmorpholine
CID 54499385
Dihydro-4-methyl-2H-1,4-benzoxazine-2-methanamine
CID 67497114
(2S,5R)-5-methyl-2-(3-methylcyclohexa-2,4-dien-1-yl)morpholine
CID 68213111
(2S,5R)-5-methyl-2-(4-methylcyclohexa-2,4-dien-1-yl)morpholine
CID 68213158
(5S)-5-methyl-2-[(1S)-4-methylcyclohexa-2,4-dien-1-yl]morpholine
CID 68213159
(2S,5S)-5-methyl-2-(3-methylcyclohexa-2,4-dien-1-yl)morpholine
CID 68213204
(2S,5R)-2-cyclohexa-2,4-dien-1-yl-5-methylmorpholine
CID 68213212

Frequently Asked Questions

What is the IUPAC name of 5-[(2E,4E)-hepta-2,4-dienyl]-2-methylmorpholine?
The IUPAC name of 5-[(2E,4E)-hepta-2,4-dienyl]-2-methylmorpholine (CID 5375413) is 5-[(2E,4E)-hepta-2,4-dienyl]-2-methylmorpholine.
What is the SMILES notation for 5-[(2E,4E)-hepta-2,4-dienyl]-2-methylmorpholine?
The canonical SMILES for 5-[(2E,4E)-hepta-2,4-dienyl]-2-methylmorpholine is CC/C=C/C=C/CC1COC(C)CN1.
What is the InChIKey of 5-[(2E,4E)-hepta-2,4-dienyl]-2-methylmorpholine?
The InChIKey is MHQRVZYGKHUXJD-YTXTXJHMSA-N. The full InChI is InChI=1S/C12H21NO/c1-3-4-5-6-7-8-12-10-14-11(2)9-13-12/h4-7,11-13H,3,8-10H2,1-2H3/b5-4+,7-6+.
What are the key properties of 5-[(2E,4E)-hepta-2,4-dienyl]-2-methylmorpholine?
5-[(2E,4E)-hepta-2,4-dienyl]-2-methylmorpholine has a molecular weight of 195.31 g/mol, XLogP of 2.28, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(2E,4E)-hepta-2,4-dienyl]-2-methylmorpholine is sourced from PubChem (CID 5375413), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).