4-[(2E,4Z)-5-methylhepta-2,4,6-trien-2-yl]morpholine

C12H19NO — CID 130216597

IUPAC4-[(2E,4Z)-5-methylhepta-2,4,6-trien-2-yl]morpholine
SMILESC=C/C(C)=C\C=C(/C)N1CCOCC1
InChIInChI=1S/C12H19NO/c1-4-11(2)5-6-12(3)13-7-9-14-10-8-13/h4-6H,1,7-10H2,2-3H3/b11-5-,12-6+
InChIKeyGJYGELPCCOCCRH-JTAXDKCCSA-N
MW193.29 g/mol
LogP2.35
Rot. Bonds3

About 4-[(2E,4Z)-5-methylhepta-2,4,6-trien-2-yl]morpholine

4-[(2E,4Z)-5-methylhepta-2,4,6-trien-2-yl]morpholine (PubChem CID 130216597) has the molecular formula C12H19NO and a molecular weight of 193.29 g/mol. Its IUPAC name is 4-[(2E,4Z)-5-methylhepta-2,4,6-trien-2-yl]morpholine.

Molecular Properties

Compound Name4-[(2E,4Z)-5-methylhepta-2,4,6-trien-2-yl]morpholine
PubChem CID130216597
Molecular FormulaC12H19NO
Molecular Weight193.29 g/mol
Exact Mass193.15
IUPAC Name4-[(2E,4Z)-5-methylhepta-2,4,6-trien-2-yl]morpholine
SMILESC=C/C(C)=C\C=C(/C)N1CCOCC1
InChIInChI=1S/C12H19NO/c1-4-11(2)5-6-12(3)13-7-9-14-10-8-13/h4-6H,1,7-10H2,2-3H3/b11-5-,12-6+
InChIKeyGJYGELPCCOCCRH-JTAXDKCCSA-N
XLogP2.35
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.29
LogP ≤ 52.35
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-[(2E,4Z)-5-methylhepta-2,4,6-trien-2-yl]morpholine?
The IUPAC name of 4-[(2E,4Z)-5-methylhepta-2,4,6-trien-2-yl]morpholine (CID 130216597) is 4-[(2E,4Z)-5-methylhepta-2,4,6-trien-2-yl]morpholine.
What is the SMILES notation for 4-[(2E,4Z)-5-methylhepta-2,4,6-trien-2-yl]morpholine?
The canonical SMILES for 4-[(2E,4Z)-5-methylhepta-2,4,6-trien-2-yl]morpholine is C=C/C(C)=C\C=C(/C)N1CCOCC1.
What is the InChIKey of 4-[(2E,4Z)-5-methylhepta-2,4,6-trien-2-yl]morpholine?
The InChIKey is GJYGELPCCOCCRH-JTAXDKCCSA-N. The full InChI is InChI=1S/C12H19NO/c1-4-11(2)5-6-12(3)13-7-9-14-10-8-13/h4-6H,1,7-10H2,2-3H3/b11-5-,12-6+.
What are the key properties of 4-[(2E,4Z)-5-methylhepta-2,4,6-trien-2-yl]morpholine?
4-[(2E,4Z)-5-methylhepta-2,4,6-trien-2-yl]morpholine has a molecular weight of 193.29 g/mol, XLogP of 2.35, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2E,4Z)-5-methylhepta-2,4,6-trien-2-yl]morpholine is sourced from PubChem (CID 130216597), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).