4-[(3E)-5-methylhexa-1,3,5-trien-3-yl]morpholin-3-one

C11H15NO2 — CID 144756168

IUPAC4-[(3E)-5-methylhexa-1,3,5-trien-3-yl]morpholin-3-one
SMILESC=C/C(=C\C(=C)C)N1CCOCC1=O
InChIInChI=1S/C11H15NO2/c1-4-10(7-9(2)3)12-5-6-14-8-11(12)13/h4,7H,1-2,5-6,8H2,3H3/b10-7+
InChIKeyFDJBQQZTVJYIFG-JXMROGBWSA-N
MW193.25 g/mol
LogP1.49
Rot. Bonds3

About 4-[(3E)-5-methylhexa-1,3,5-trien-3-yl]morpholin-3-one

4-[(3E)-5-methylhexa-1,3,5-trien-3-yl]morpholin-3-one (PubChem CID 144756168) has the molecular formula C11H15NO2 and a molecular weight of 193.25 g/mol. Its IUPAC name is 4-[(3E)-5-methylhexa-1,3,5-trien-3-yl]morpholin-3-one.

Molecular Properties

Compound Name4-[(3E)-5-methylhexa-1,3,5-trien-3-yl]morpholin-3-one
PubChem CID144756168
Molecular FormulaC11H15NO2
Molecular Weight193.25 g/mol
Exact Mass193.11
IUPAC Name4-[(3E)-5-methylhexa-1,3,5-trien-3-yl]morpholin-3-one
SMILESC=C/C(=C\C(=C)C)N1CCOCC1=O
InChIInChI=1S/C11H15NO2/c1-4-10(7-9(2)3)12-5-6-14-8-11(12)13/h4,7H,1-2,5-6,8H2,3H3/b10-7+
InChIKeyFDJBQQZTVJYIFG-JXMROGBWSA-N
XLogP1.49
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.25
LogP ≤ 51.49
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-[(3E)-5-methylhexa-1,3,5-trien-3-yl]morpholin-3-one?
The IUPAC name of 4-[(3E)-5-methylhexa-1,3,5-trien-3-yl]morpholin-3-one (CID 144756168) is 4-[(3E)-5-methylhexa-1,3,5-trien-3-yl]morpholin-3-one.
What is the SMILES notation for 4-[(3E)-5-methylhexa-1,3,5-trien-3-yl]morpholin-3-one?
The canonical SMILES for 4-[(3E)-5-methylhexa-1,3,5-trien-3-yl]morpholin-3-one is C=C/C(=C\C(=C)C)N1CCOCC1=O.
What is the InChIKey of 4-[(3E)-5-methylhexa-1,3,5-trien-3-yl]morpholin-3-one?
The InChIKey is FDJBQQZTVJYIFG-JXMROGBWSA-N. The full InChI is InChI=1S/C11H15NO2/c1-4-10(7-9(2)3)12-5-6-14-8-11(12)13/h4,7H,1-2,5-6,8H2,3H3/b10-7+.
What are the key properties of 4-[(3E)-5-methylhexa-1,3,5-trien-3-yl]morpholin-3-one?
4-[(3E)-5-methylhexa-1,3,5-trien-3-yl]morpholin-3-one has a molecular weight of 193.25 g/mol, XLogP of 1.49, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(3E)-5-methylhexa-1,3,5-trien-3-yl]morpholin-3-one is sourced from PubChem (CID 144756168), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).