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

C10H17NO2 — CID 19872357

IUPAC1-(2,6-dimethylmorpholin-4-yl)-2-methylprop-2-en-1-one
SMILESC=C(C)C(=O)N1CC(C)OC(C)C1
InChIInChI=1S/C10H17NO2/c1-7(2)10(12)11-5-8(3)13-9(4)6-11/h8-9H,1,5-6H2,2-4H3
InChIKeyFADGDYXGFKIRJX-UHFFFAOYSA-N
MW183.25 g/mol
LogP1.20
Rot. Bonds1

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

1-(2,6-dimethylmorpholin-4-yl)-2-methylprop-2-en-1-one (PubChem CID 19872357) has the molecular formula C10H17NO2 and a molecular weight of 183.25 g/mol. Its IUPAC name is 1-(2,6-dimethylmorpholin-4-yl)-2-methylprop-2-en-1-one.

Molecular Properties

Compound Name1-(2,6-dimethylmorpholin-4-yl)-2-methylprop-2-en-1-one
PubChem CID19872357
Molecular FormulaC10H17NO2
Molecular Weight183.25 g/mol
Exact Mass183.13
IUPAC Name1-(2,6-dimethylmorpholin-4-yl)-2-methylprop-2-en-1-one
SMILESC=C(C)C(=O)N1CC(C)OC(C)C1
InChIInChI=1S/C10H17NO2/c1-7(2)10(12)11-5-8(3)13-9(4)6-11/h8-9H,1,5-6H2,2-4H3
InChIKeyFADGDYXGFKIRJX-UHFFFAOYSA-N
XLogP1.20
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.25
LogP ≤ 51.20
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-methylprop-2-en-1-one?
The IUPAC name of 1-(2,6-dimethylmorpholin-4-yl)-2-methylprop-2-en-1-one (CID 19872357) is 1-(2,6-dimethylmorpholin-4-yl)-2-methylprop-2-en-1-one.
What is the SMILES notation for 1-(2,6-dimethylmorpholin-4-yl)-2-methylprop-2-en-1-one?
The canonical SMILES for 1-(2,6-dimethylmorpholin-4-yl)-2-methylprop-2-en-1-one is C=C(C)C(=O)N1CC(C)OC(C)C1.
What is the InChIKey of 1-(2,6-dimethylmorpholin-4-yl)-2-methylprop-2-en-1-one?
The InChIKey is FADGDYXGFKIRJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17NO2/c1-7(2)10(12)11-5-8(3)13-9(4)6-11/h8-9H,1,5-6H2,2-4H3.
What are the key properties of 1-(2,6-dimethylmorpholin-4-yl)-2-methylprop-2-en-1-one?
1-(2,6-dimethylmorpholin-4-yl)-2-methylprop-2-en-1-one has a molecular weight of 183.25 g/mol, XLogP of 1.20, 1 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-methylprop-2-en-1-one is sourced from PubChem (CID 19872357), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).