4-[(2E)-5-methylhexa-2,4-dien-2-yl]morpholine

C11H19NO — CID 12794203

IUPAC4-[(2E)-5-methylhexa-2,4-dien-2-yl]morpholine
SMILESCC(C)=C/C=C(\C)N1CCOCC1
InChIInChI=1S/C11H19NO/c1-10(2)4-5-11(3)12-6-8-13-9-7-12/h4-5H,6-9H2,1-3H3/b11-5+
InChIKeyVOXFWLYOCHEVQN-VZUCSPMQSA-N
MW181.28 g/mol
LogP2.19
Rot. Bonds2

About 4-[(2E)-5-methylhexa-2,4-dien-2-yl]morpholine

4-[(2E)-5-methylhexa-2,4-dien-2-yl]morpholine (PubChem CID 12794203) has the molecular formula C11H19NO and a molecular weight of 181.28 g/mol. Its IUPAC name is 4-[(2E)-5-methylhexa-2,4-dien-2-yl]morpholine.

Molecular Properties

Compound Name4-[(2E)-5-methylhexa-2,4-dien-2-yl]morpholine
PubChem CID12794203
Molecular FormulaC11H19NO
Molecular Weight181.28 g/mol
Exact Mass181.15
IUPAC Name4-[(2E)-5-methylhexa-2,4-dien-2-yl]morpholine
SMILESCC(C)=C/C=C(\C)N1CCOCC1
InChIInChI=1S/C11H19NO/c1-10(2)4-5-11(3)12-6-8-13-9-7-12/h4-5H,6-9H2,1-3H3/b11-5+
InChIKeyVOXFWLYOCHEVQN-VZUCSPMQSA-N
XLogP2.19
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
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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Related Compounds

4-[(E)-but-2-en-2-yl]morpholine
CID 12467373
Morpholine, 4-(1,2-dimethyl-1-propenyl)-
CID 12199318
Morpholine, 4-(3-methyl-2-butenyl)-
CID 12585158
4-(But-2-en-2-yl)morpholine
CID 53949343
4-[(2E,4E)-4-fluorohexa-2,4-dien-2-yl]-2,6-dimethylmorpholine
CID 89214988
4-[(3E)-2-fluoropenta-1,3-dien-3-yl]morpholine
CID 135170053
4-[(3E)-3-fluoropenta-1,3-dien-2-yl]morpholine
CID 143431081
(1Z)-N,N-diethyl-4-methyl-1-morpholin-4-ylpenta-1,3-dien-1-amine
CID 23265279
4-[(3Z)-3-methylpenta-1,3-dien-2-yl]morpholine
CID 134830691
4-[(2E,4Z,6E)-7-fluoro-5-methylhepta-2,4,6-trien-2-yl]-2,6-dimethylmorpholine
CID 144055899
4-[(3E)-2-fluoro-5-methylhexa-1,3,5-trien-3-yl]morpholine
CID 145213590
Morpholine, 4-(3-methyl-1-propylidene-2-hexenyl)-
CID 5374728

Frequently Asked Questions

What is the IUPAC name of 4-[(2E)-5-methylhexa-2,4-dien-2-yl]morpholine?
The IUPAC name of 4-[(2E)-5-methylhexa-2,4-dien-2-yl]morpholine (CID 12794203) is 4-[(2E)-5-methylhexa-2,4-dien-2-yl]morpholine.
What is the SMILES notation for 4-[(2E)-5-methylhexa-2,4-dien-2-yl]morpholine?
The canonical SMILES for 4-[(2E)-5-methylhexa-2,4-dien-2-yl]morpholine is CC(C)=C/C=C(\C)N1CCOCC1.
What is the InChIKey of 4-[(2E)-5-methylhexa-2,4-dien-2-yl]morpholine?
The InChIKey is VOXFWLYOCHEVQN-VZUCSPMQSA-N. The full InChI is InChI=1S/C11H19NO/c1-10(2)4-5-11(3)12-6-8-13-9-7-12/h4-5H,6-9H2,1-3H3/b11-5+.
What are the key properties of 4-[(2E)-5-methylhexa-2,4-dien-2-yl]morpholine?
4-[(2E)-5-methylhexa-2,4-dien-2-yl]morpholine has a molecular weight of 181.28 g/mol, XLogP of 2.19, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2E)-5-methylhexa-2,4-dien-2-yl]morpholine is sourced from PubChem (CID 12794203), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).