(2E,4E)-5,9-dimethyl-1-morpholin-4-yldeca-2,4,8-trien-1-one

C16H25NO2 — CID 44561469

IUPAC(2E,4E)-5,9-dimethyl-1-morpholin-4-yldeca-2,4,8-trien-1-one
SMILESCC(C)=CCC/C(C)=C/C=C/C(=O)N1CCOCC1
InChIInChI=1S/C16H25NO2/c1-14(2)6-4-7-15(3)8-5-9-16(18)17-10-12-19-13-11-17/h5-6,8-9H,4,7,10-13H2,1-3H3/b9-5+,15-8+
InChIKeyCRUONZGDXVDHHY-DFQJZRGGSA-N
MW263.38 g/mol
LogP3.09
Rot. Bonds5

About (2E,4E)-5,9-dimethyl-1-morpholin-4-yldeca-2,4,8-trien-1-one

(2E,4E)-5,9-dimethyl-1-morpholin-4-yldeca-2,4,8-trien-1-one (PubChem CID 44561469) has the molecular formula C16H25NO2 and a molecular weight of 263.38 g/mol. Its IUPAC name is (2E,4E)-5,9-dimethyl-1-morpholin-4-yldeca-2,4,8-trien-1-one.

Molecular Properties

Compound Name(2E,4E)-5,9-dimethyl-1-morpholin-4-yldeca-2,4,8-trien-1-one
PubChem CID44561469
Molecular FormulaC16H25NO2
Molecular Weight263.38 g/mol
Exact Mass263.19
IUPAC Name(2E,4E)-5,9-dimethyl-1-morpholin-4-yldeca-2,4,8-trien-1-one
SMILESCC(C)=CCC/C(C)=C/C=C/C(=O)N1CCOCC1
InChIInChI=1S/C16H25NO2/c1-14(2)6-4-7-15(3)8-5-9-16(18)17-10-12-19-13-11-17/h5-6,8-9H,4,7,10-13H2,1-3H3/b9-5+,15-8+
InChIKeyCRUONZGDXVDHHY-DFQJZRGGSA-N
XLogP3.09
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.38
LogP ≤ 53.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

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Related Compounds

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CID 14773869
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CID 101466463
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CID 102594206
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CID 129753814
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Frequently Asked Questions

What is the IUPAC name of (2E,4E)-5,9-dimethyl-1-morpholin-4-yldeca-2,4,8-trien-1-one?
The IUPAC name of (2E,4E)-5,9-dimethyl-1-morpholin-4-yldeca-2,4,8-trien-1-one (CID 44561469) is (2E,4E)-5,9-dimethyl-1-morpholin-4-yldeca-2,4,8-trien-1-one.
What is the SMILES notation for (2E,4E)-5,9-dimethyl-1-morpholin-4-yldeca-2,4,8-trien-1-one?
The canonical SMILES for (2E,4E)-5,9-dimethyl-1-morpholin-4-yldeca-2,4,8-trien-1-one is CC(C)=CCC/C(C)=C/C=C/C(=O)N1CCOCC1.
What is the InChIKey of (2E,4E)-5,9-dimethyl-1-morpholin-4-yldeca-2,4,8-trien-1-one?
The InChIKey is CRUONZGDXVDHHY-DFQJZRGGSA-N. The full InChI is InChI=1S/C16H25NO2/c1-14(2)6-4-7-15(3)8-5-9-16(18)17-10-12-19-13-11-17/h5-6,8-9H,4,7,10-13H2,1-3H3/b9-5+,15-8+.
What are the key properties of (2E,4E)-5,9-dimethyl-1-morpholin-4-yldeca-2,4,8-trien-1-one?
(2E,4E)-5,9-dimethyl-1-morpholin-4-yldeca-2,4,8-trien-1-one has a molecular weight of 263.38 g/mol, XLogP of 3.09, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2E,4E)-5,9-dimethyl-1-morpholin-4-yldeca-2,4,8-trien-1-one is sourced from PubChem (CID 44561469), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).