2,6-dimethylmorpholine-4-carbonitrile

C7H12N2O — CID 10240890

IUPAC2,6-dimethylmorpholine-4-carbonitrile
SMILESCC1CN(C#N)CC(C)O1
InChIInChI=1S/C7H12N2O/c1-6-3-9(5-8)4-7(2)10-6/h6-7H,3-4H2,1-2H3
InChIKeyOGZKHAGLXOMKOS-UHFFFAOYSA-N
MW140.19 g/mol
LogP0.58
Rot. Bonds

About 2,6-dimethylmorpholine-4-carbonitrile

2,6-dimethylmorpholine-4-carbonitrile (PubChem CID 10240890) has the molecular formula C7H12N2O and a molecular weight of 140.19 g/mol. Its IUPAC name is 2,6-dimethylmorpholine-4-carbonitrile.

Molecular Properties

Compound Name2,6-dimethylmorpholine-4-carbonitrile
PubChem CID10240890
Molecular FormulaC7H12N2O
Molecular Weight140.19 g/mol
Exact Mass140.09
IUPAC Name2,6-dimethylmorpholine-4-carbonitrile
SMILESCC1CN(C#N)CC(C)O1
InChIInChI=1S/C7H12N2O/c1-6-3-9(5-8)4-7(2)10-6/h6-7H,3-4H2,1-2H3
InChIKeyOGZKHAGLXOMKOS-UHFFFAOYSA-N
XLogP0.58
TPSA36.26 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500140.19
LogP ≤ 50.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'cyanate_/aminonitrile_/thiocyanate', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2,6-dimethylmorpholine-4-carbonitrile?
The IUPAC name of 2,6-dimethylmorpholine-4-carbonitrile (CID 10240890) is 2,6-dimethylmorpholine-4-carbonitrile.
What is the SMILES notation for 2,6-dimethylmorpholine-4-carbonitrile?
The canonical SMILES for 2,6-dimethylmorpholine-4-carbonitrile is CC1CN(C#N)CC(C)O1.
What is the InChIKey of 2,6-dimethylmorpholine-4-carbonitrile?
The InChIKey is OGZKHAGLXOMKOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12N2O/c1-6-3-9(5-8)4-7(2)10-6/h6-7H,3-4H2,1-2H3.
What are the key properties of 2,6-dimethylmorpholine-4-carbonitrile?
2,6-dimethylmorpholine-4-carbonitrile has a molecular weight of 140.19 g/mol, XLogP of 0.58, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-dimethylmorpholine-4-carbonitrile is sourced from PubChem (CID 10240890), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).