2-methylmorpholine-4-carbonitrile

C6H10N2O — CID 11819091

IUPAC2-methylmorpholine-4-carbonitrile
SMILESCC1CN(C#N)CCO1
InChIInChI=1S/C6H10N2O/c1-6-4-8(5-7)2-3-9-6/h6H,2-4H2,1H3
InChIKeyLBQPLVGMOIUZPL-UHFFFAOYSA-N
MW126.16 g/mol
LogP0.19
Rot. Bonds

About 2-methylmorpholine-4-carbonitrile

2-methylmorpholine-4-carbonitrile (PubChem CID 11819091) has the molecular formula C6H10N2O and a molecular weight of 126.16 g/mol. Its IUPAC name is 2-methylmorpholine-4-carbonitrile.

Molecular Properties

Compound Name2-methylmorpholine-4-carbonitrile
PubChem CID11819091
Molecular FormulaC6H10N2O
Molecular Weight126.16 g/mol
Exact Mass126.08
IUPAC Name2-methylmorpholine-4-carbonitrile
SMILESCC1CN(C#N)CCO1
InChIInChI=1S/C6H10N2O/c1-6-4-8(5-7)2-3-9-6/h6H,2-4H2,1H3
InChIKeyLBQPLVGMOIUZPL-UHFFFAOYSA-N
XLogP0.19
TPSA36.26 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500126.16
LogP ≤ 50.19
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-methylmorpholine-4-carbonitrile?
The IUPAC name of 2-methylmorpholine-4-carbonitrile (CID 11819091) is 2-methylmorpholine-4-carbonitrile.
What is the SMILES notation for 2-methylmorpholine-4-carbonitrile?
The canonical SMILES for 2-methylmorpholine-4-carbonitrile is CC1CN(C#N)CCO1.
What is the InChIKey of 2-methylmorpholine-4-carbonitrile?
The InChIKey is LBQPLVGMOIUZPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10N2O/c1-6-4-8(5-7)2-3-9-6/h6H,2-4H2,1H3.
What are the key properties of 2-methylmorpholine-4-carbonitrile?
2-methylmorpholine-4-carbonitrile has a molecular weight of 126.16 g/mol, XLogP of 0.19, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylmorpholine-4-carbonitrile is sourced from PubChem (CID 11819091), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).