(2E,4E)-1-morpholin-4-ylocta-2,4-dien-1-one

C12H19NO2 — CID 166440192

IUPAC(2E,4E)-1-morpholin-4-ylocta-2,4-dien-1-one
SMILESCCC/C=C/C=C/C(=O)N1CCOCC1
InChIInChI=1S/C12H19NO2/c1-2-3-4-5-6-7-12(14)13-8-10-15-11-9-13/h4-7H,2-3,8-11H2,1H3/b5-4+,7-6+
InChIKeyKACIWXVXBWJXRV-YTXTXJHMSA-N
MW209.29 g/mol
LogP1.76
Rot. Bonds4

About (2E,4E)-1-morpholin-4-ylocta-2,4-dien-1-one

(2E,4E)-1-morpholin-4-ylocta-2,4-dien-1-one (PubChem CID 166440192) has the molecular formula C12H19NO2 and a molecular weight of 209.29 g/mol. Its IUPAC name is (2E,4E)-1-morpholin-4-ylocta-2,4-dien-1-one.

Molecular Properties

Compound Name(2E,4E)-1-morpholin-4-ylocta-2,4-dien-1-one
PubChem CID166440192
Molecular FormulaC12H19NO2
Molecular Weight209.29 g/mol
Exact Mass209.14
IUPAC Name(2E,4E)-1-morpholin-4-ylocta-2,4-dien-1-one
SMILESCCC/C=C/C=C/C(=O)N1CCOCC1
InChIInChI=1S/C12H19NO2/c1-2-3-4-5-6-7-12(14)13-8-10-15-11-9-13/h4-7H,2-3,8-11H2,1H3/b5-4+,7-6+
InChIKeyKACIWXVXBWJXRV-YTXTXJHMSA-N
XLogP1.76
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.29
LogP ≤ 51.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(2E,6E)-3,7,11-trimethyl-1-morpholino-dodeca-2,6,10-trien-1-one
CID 5275519
(2E,4E)-5,9-dimethyl-1-morpholin-4-yldeca-2,4,8-trien-1-one
CID 44561469
(2E,6E,8E)-2,6-dimethyl-10-morpholin-4-yl-10-oxodeca-2,6,8-trienal
CID 44561547
Morpholine, 4-(1-oxo-2-butenyl)-
CID 5463262
1-Morpholin-4-yl-undec-2-en-1-one
CID 54196588
(2Z)-2-(1-fluoropropylidene)-5-methyl-1-morpholin-4-ylhepta-3,6-dien-1-one
CID 144144180
(2E,4E,6E,8Z,10Z)-11-fluoro-9-methyl-1-morpholin-4-ylundeca-2,4,6,8,10-pentaen-1-one
CID 156082359
(E)-4-methyl-1-morpholin-4-ylpent-2-en-1-one
CID 12185745
(E)-2-methyl-1-morpholin-4-ylpent-2-en-1-one
CID 14773869
(E)-2,4,4-trimethyl-1-morpholin-4-ylpent-2-en-1-one
CID 102594206
(E)-1-morpholin-4-ylhept-4-ene-1,6-dione
CID 125476306
(2e,4e)-1-(Morpholin-4-yl)deca-2,4-dien-1-one
CID 129753814

Frequently Asked Questions

What is the IUPAC name of (2E,4E)-1-morpholin-4-ylocta-2,4-dien-1-one?
The IUPAC name of (2E,4E)-1-morpholin-4-ylocta-2,4-dien-1-one (CID 166440192) is (2E,4E)-1-morpholin-4-ylocta-2,4-dien-1-one.
What is the SMILES notation for (2E,4E)-1-morpholin-4-ylocta-2,4-dien-1-one?
The canonical SMILES for (2E,4E)-1-morpholin-4-ylocta-2,4-dien-1-one is CCC/C=C/C=C/C(=O)N1CCOCC1.
What is the InChIKey of (2E,4E)-1-morpholin-4-ylocta-2,4-dien-1-one?
The InChIKey is KACIWXVXBWJXRV-YTXTXJHMSA-N. The full InChI is InChI=1S/C12H19NO2/c1-2-3-4-5-6-7-12(14)13-8-10-15-11-9-13/h4-7H,2-3,8-11H2,1H3/b5-4+,7-6+.
What are the key properties of (2E,4E)-1-morpholin-4-ylocta-2,4-dien-1-one?
(2E,4E)-1-morpholin-4-ylocta-2,4-dien-1-one has a molecular weight of 209.29 g/mol, XLogP of 1.76, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2E,4E)-1-morpholin-4-ylocta-2,4-dien-1-one is sourced from PubChem (CID 166440192), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).