1-morpholin-4-ylethanone;1-morpholin-2-ylprop-2-en-1-one

C13H22N2O4 — CID 175463061

IUPAC1-morpholin-4-ylethanone;1-morpholin-2-ylprop-2-en-1-one
SMILESC=CC(=O)C1CNCCO1.CC(=O)N1CCOCC1
InChIInChI=1S/C7H11NO2.C6H11NO2/c1-2-6(9)7-5-8-3-4-10-7;1-6(8)7-2-4-9-5-3-7/h2,7-8H,1,3-5H2;2-5H2,1H3
InChIKeyZODVCGRIJVSZDZ-UHFFFAOYSA-N
MW270.33 g/mol
LogP-0.41
Rot. Bonds2

About 1-morpholin-4-ylethanone;1-morpholin-2-ylprop-2-en-1-one

1-morpholin-4-ylethanone;1-morpholin-2-ylprop-2-en-1-one (PubChem CID 175463061) has the molecular formula C13H22N2O4 and a molecular weight of 270.33 g/mol. Its IUPAC name is 1-morpholin-4-ylethanone;1-morpholin-2-ylprop-2-en-1-one.

Molecular Properties

Compound Name1-morpholin-4-ylethanone;1-morpholin-2-ylprop-2-en-1-one
PubChem CID175463061
Molecular FormulaC13H22N2O4
Molecular Weight270.33 g/mol
Exact Mass270.16
IUPAC Name1-morpholin-4-ylethanone;1-morpholin-2-ylprop-2-en-1-one
SMILESC=CC(=O)C1CNCCO1.CC(=O)N1CCOCC1
InChIInChI=1S/C7H11NO2.C6H11NO2/c1-2-6(9)7-5-8-3-4-10-7;1-6(8)7-2-4-9-5-3-7/h2,7-8H,1,3-5H2;2-5H2,1H3
InChIKeyZODVCGRIJVSZDZ-UHFFFAOYSA-N
XLogP-0.41
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.33
LogP ≤ 5-0.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-methyl-1-morpholin-2-ylprop-2-en-1-one;1-morpholin-2-ylprop-2-en-1-one
CID 23164285
2-morpholin-2-yl-2-oxoacetaldehyde
CID 19972079
N-(1-morpholin-4-yl-1-oxobutan-2-yl)morpholine-2-carboxamide
CID 119810252
1-morpholin-2-ylbut-2-en-1-one
CID 70502586
1-morpholin-2-ylprop-2-en-1-one;oxolan-2-ylmethyl 2-methylprop-2-enoate
CID 174809391
ethane;1-morpholin-2-ylethanone
CID 143224838
1-(1,4,7,10,13-pentaoxa-16-azacyclooctadec-16-yl)ethanone
CID 10335257
1-(1,4,7,10,13,16,19-heptaoxa-22-azacyclotetracos-22-yl)ethanone
CID 20707611
1-(1,4,7-trioxa-10-azacyclododec-10-yl)ethanone
CID 949153
2-[4-(morpholine-2-carbonyl)piperazin-1-yl]-1-morpholin-4-ylethanone
CID 119834280
2-prop-1-en-2-ylmorpholine;hydrochloride
CID 154577477
ethane;morpholine-2-carboxylic acid
CID 170608685

Frequently Asked Questions

What is the IUPAC name of 1-morpholin-4-ylethanone;1-morpholin-2-ylprop-2-en-1-one?
The IUPAC name of 1-morpholin-4-ylethanone;1-morpholin-2-ylprop-2-en-1-one (CID 175463061) is 1-morpholin-4-ylethanone;1-morpholin-2-ylprop-2-en-1-one.
What is the SMILES notation for 1-morpholin-4-ylethanone;1-morpholin-2-ylprop-2-en-1-one?
The canonical SMILES for 1-morpholin-4-ylethanone;1-morpholin-2-ylprop-2-en-1-one is C=CC(=O)C1CNCCO1.CC(=O)N1CCOCC1.
What is the InChIKey of 1-morpholin-4-ylethanone;1-morpholin-2-ylprop-2-en-1-one?
The InChIKey is ZODVCGRIJVSZDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11NO2.C6H11NO2/c1-2-6(9)7-5-8-3-4-10-7;1-6(8)7-2-4-9-5-3-7/h2,7-8H,1,3-5H2;2-5H2,1H3.
What are the key properties of 1-morpholin-4-ylethanone;1-morpholin-2-ylprop-2-en-1-one?
1-morpholin-4-ylethanone;1-morpholin-2-ylprop-2-en-1-one has a molecular weight of 270.33 g/mol, XLogP of -0.41, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-morpholin-4-ylethanone;1-morpholin-2-ylprop-2-en-1-one is sourced from PubChem (CID 175463061), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).