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

C10H15NO2 — CID 13405154

IUPAC(2E,4E)-1-morpholin-4-ylhexa-2,4-dien-1-one
SMILESC/C=C/C=C/C(=O)N1CCOCC1
InChIInChI=1S/C10H15NO2/c1-2-3-4-5-10(12)11-6-8-13-9-7-11/h2-5H,6-9H2,1H3/b3-2+,5-4+
InChIKeyYHFCLKOVFYITAG-MQQKCMAXSA-N
MW181.24 g/mol
LogP0.98
Rot. Bonds2

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

(2E,4E)-1-morpholin-4-ylhexa-2,4-dien-1-one (PubChem CID 13405154) has the molecular formula C10H15NO2 and a molecular weight of 181.24 g/mol. Its IUPAC name is (2E,4E)-1-morpholin-4-ylhexa-2,4-dien-1-one.

Molecular Properties

Compound Name(2E,4E)-1-morpholin-4-ylhexa-2,4-dien-1-one
PubChem CID13405154
Molecular FormulaC10H15NO2
Molecular Weight181.24 g/mol
Exact Mass181.11
IUPAC Name(2E,4E)-1-morpholin-4-ylhexa-2,4-dien-1-one
SMILESC/C=C/C=C/C(=O)N1CCOCC1
InChIInChI=1S/C10H15NO2/c1-2-3-4-5-10(12)11-6-8-13-9-7-11/h2-5H,6-9H2,1H3/b3-2+,5-4+
InChIKeyYHFCLKOVFYITAG-MQQKCMAXSA-N
XLogP0.98
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.24
LogP ≤ 50.98
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

Acryloylmorpholine
CID 98723
Morpholine, 4-(3-methyl-1-oxo-2-butenyl)-
CID 532089
(E)-4-(2-Methyl-1-oxo-2-butenyl)morpholine
CID 5325335
Morpholine, 4-(1-oxo-2-butenyl)-
CID 5463262
5-Fluoro-1-[2-(2-methoxyethoxy)ethyl]pyridin-2-one
CID 86818703
(E)-4-fluoro-1-morpholin-4-ylbut-2-en-1-one
CID 145199916
(2E,4E,6E,8Z,10Z)-11-fluoro-9-methyl-1-morpholin-4-ylundeca-2,4,6,8,10-pentaen-1-one
CID 156082359
3-Hydroxy-1-morpholin-4-ylbut-2-en-1-one
CID 124542722
(2Z)-2-methyl-1-morpholin-4-ylpenta-2,4-dien-1-one
CID 24899376
(2e,4e)-1-(Morpholin-4-yl)deca-2,4-dien-1-one
CID 129753814
(z,e)-3-Methoxy-1-morpholinoprop-2-en-1-one
CID 129754047
(E)-1-morpholin-4-yl-4-trimethylsilylbut-2-en-1-one
CID 135001341

Frequently Asked Questions

What is the IUPAC name of (2E,4E)-1-morpholin-4-ylhexa-2,4-dien-1-one?
The IUPAC name of (2E,4E)-1-morpholin-4-ylhexa-2,4-dien-1-one (CID 13405154) is (2E,4E)-1-morpholin-4-ylhexa-2,4-dien-1-one.
What is the SMILES notation for (2E,4E)-1-morpholin-4-ylhexa-2,4-dien-1-one?
The canonical SMILES for (2E,4E)-1-morpholin-4-ylhexa-2,4-dien-1-one is C/C=C/C=C/C(=O)N1CCOCC1.
What is the InChIKey of (2E,4E)-1-morpholin-4-ylhexa-2,4-dien-1-one?
The InChIKey is YHFCLKOVFYITAG-MQQKCMAXSA-N. The full InChI is InChI=1S/C10H15NO2/c1-2-3-4-5-10(12)11-6-8-13-9-7-11/h2-5H,6-9H2,1H3/b3-2+,5-4+.
What are the key properties of (2E,4E)-1-morpholin-4-ylhexa-2,4-dien-1-one?
(2E,4E)-1-morpholin-4-ylhexa-2,4-dien-1-one has a molecular weight of 181.24 g/mol, XLogP of 0.98, 2 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-ylhexa-2,4-dien-1-one is sourced from PubChem (CID 13405154), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).