1-(2,6-dimethylmorpholin-4-yl)-2-methylpent-2-en-1-one

C12H21NO2 — CID 71897557

IUPAC1-(2,6-dimethylmorpholin-4-yl)-2-methylpent-2-en-1-one
SMILESCCC=C(C)C(=O)N1CC(C)OC(C)C1
InChIInChI=1S/C12H21NO2/c1-5-6-9(2)12(14)13-7-10(3)15-11(4)8-13/h6,10-11H,5,7-8H2,1-4H3
InChIKeyNTAFETGROPCYIX-UHFFFAOYSA-N
MW211.30 g/mol
LogP1.98
Rot. Bonds2

About 1-(2,6-dimethylmorpholin-4-yl)-2-methylpent-2-en-1-one

1-(2,6-dimethylmorpholin-4-yl)-2-methylpent-2-en-1-one (PubChem CID 71897557) has the molecular formula C12H21NO2 and a molecular weight of 211.30 g/mol. Its IUPAC name is 1-(2,6-dimethylmorpholin-4-yl)-2-methylpent-2-en-1-one.

Molecular Properties

Compound Name1-(2,6-dimethylmorpholin-4-yl)-2-methylpent-2-en-1-one
PubChem CID71897557
Molecular FormulaC12H21NO2
Molecular Weight211.30 g/mol
Exact Mass211.16
IUPAC Name1-(2,6-dimethylmorpholin-4-yl)-2-methylpent-2-en-1-one
SMILESCCC=C(C)C(=O)N1CC(C)OC(C)C1
InChIInChI=1S/C12H21NO2/c1-5-6-9(2)12(14)13-7-10(3)15-11(4)8-13/h6,10-11H,5,7-8H2,1-4H3
InChIKeyNTAFETGROPCYIX-UHFFFAOYSA-N
XLogP1.98
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.30
LogP ≤ 51.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-(2,6-dimethylmorpholin-4-yl)-2-methylpent-2-en-1-one?
The IUPAC name of 1-(2,6-dimethylmorpholin-4-yl)-2-methylpent-2-en-1-one (CID 71897557) is 1-(2,6-dimethylmorpholin-4-yl)-2-methylpent-2-en-1-one.
What is the SMILES notation for 1-(2,6-dimethylmorpholin-4-yl)-2-methylpent-2-en-1-one?
The canonical SMILES for 1-(2,6-dimethylmorpholin-4-yl)-2-methylpent-2-en-1-one is CCC=C(C)C(=O)N1CC(C)OC(C)C1.
What is the InChIKey of 1-(2,6-dimethylmorpholin-4-yl)-2-methylpent-2-en-1-one?
The InChIKey is NTAFETGROPCYIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21NO2/c1-5-6-9(2)12(14)13-7-10(3)15-11(4)8-13/h6,10-11H,5,7-8H2,1-4H3.
What are the key properties of 1-(2,6-dimethylmorpholin-4-yl)-2-methylpent-2-en-1-one?
1-(2,6-dimethylmorpholin-4-yl)-2-methylpent-2-en-1-one has a molecular weight of 211.30 g/mol, XLogP of 1.98, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,6-dimethylmorpholin-4-yl)-2-methylpent-2-en-1-one is sourced from PubChem (CID 71897557), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).