3-(2,6-dimethylmorpholin-4-yl)-3-oxopropanenitrile

C9H14N2O2 — CID 2799271

IUPAC3-(2,6-dimethylmorpholin-4-yl)-3-oxopropanenitrile
SMILESCC1CN(C(=O)CC#N)CC(C)O1
InChIInChI=1S/C9H14N2O2/c1-7-5-11(6-8(2)13-7)9(12)3-4-10/h7-8H,3,5-6H2,1-2H3
InChIKeyMVTWXVWAQWYWIM-UHFFFAOYSA-N
MW182.22 g/mol
LogP0.54
Rot. Bonds1

About 3-(2,6-dimethylmorpholin-4-yl)-3-oxopropanenitrile

3-(2,6-dimethylmorpholin-4-yl)-3-oxopropanenitrile (PubChem CID 2799271) has the molecular formula C9H14N2O2 and a molecular weight of 182.22 g/mol. Its IUPAC name is 3-(2,6-dimethylmorpholin-4-yl)-3-oxopropanenitrile.

Molecular Properties

Compound Name3-(2,6-dimethylmorpholin-4-yl)-3-oxopropanenitrile
PubChem CID2799271
Molecular FormulaC9H14N2O2
Molecular Weight182.22 g/mol
Exact Mass182.11
IUPAC Name3-(2,6-dimethylmorpholin-4-yl)-3-oxopropanenitrile
SMILESCC1CN(C(=O)CC#N)CC(C)O1
InChIInChI=1S/C9H14N2O2/c1-7-5-11(6-8(2)13-7)9(12)3-4-10/h7-8H,3,5-6H2,1-2H3
InChIKeyMVTWXVWAQWYWIM-UHFFFAOYSA-N
XLogP0.54
TPSA53.33 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.22
LogP ≤ 50.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

4-(Cyanoacetyl)morpholine
CID 229279
1-(4-Morpholinyl)-1-propanone
CID 225447
1-(2,6-Dimethylmorpholin-4-yl)-2-methylpropan-1-one
CID 3484687
4-Morpholin-4-yl-4-oxobutanenitrile
CID 82111289
1-(2,6-Dimethylmorpholin-4-yl)butan-1-one
CID 304072
Morpholine, 4-acetyl-2,6-dimethyl-
CID 3361054
4-(3,3,3-Trifluoropropanoyl)morpholine-2-carbonitrile
CID 78945532
4-(4,4,4-Trifluorobutanoyl)morpholine-2-carbonitrile
CID 79035742
4-[3-(2,2-Difluoroethoxy)propanoyl]morpholine-2-carbonitrile
CID 103208289
4-[3,3,3-Trifluoro-2-(trifluoromethyl)propanoyl]morpholine-2-carbonitrile
CID 103309879
4-(2,2-Difluoroacetyl)morpholine-2-carbonitrile
CID 103513782
4-(2,2,3,3-Tetrafluoropropanoyl)morpholine-2-carbonitrile
CID 103733608

Frequently Asked Questions

What is the IUPAC name of 3-(2,6-dimethylmorpholin-4-yl)-3-oxopropanenitrile?
The IUPAC name of 3-(2,6-dimethylmorpholin-4-yl)-3-oxopropanenitrile (CID 2799271) is 3-(2,6-dimethylmorpholin-4-yl)-3-oxopropanenitrile.
What is the SMILES notation for 3-(2,6-dimethylmorpholin-4-yl)-3-oxopropanenitrile?
The canonical SMILES for 3-(2,6-dimethylmorpholin-4-yl)-3-oxopropanenitrile is CC1CN(C(=O)CC#N)CC(C)O1.
What is the InChIKey of 3-(2,6-dimethylmorpholin-4-yl)-3-oxopropanenitrile?
The InChIKey is MVTWXVWAQWYWIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N2O2/c1-7-5-11(6-8(2)13-7)9(12)3-4-10/h7-8H,3,5-6H2,1-2H3.
What are the key properties of 3-(2,6-dimethylmorpholin-4-yl)-3-oxopropanenitrile?
3-(2,6-dimethylmorpholin-4-yl)-3-oxopropanenitrile has a molecular weight of 182.22 g/mol, XLogP of 0.54, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,6-dimethylmorpholin-4-yl)-3-oxopropanenitrile is sourced from PubChem (CID 2799271), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).