4,6-dimethylmorpholine-2-carbonitrile

C7H12N2O — CID 134129747

IUPAC4,6-dimethylmorpholine-2-carbonitrile
SMILESCC1CN(C)CC(C#N)O1
InChIInChI=1S/C7H12N2O/c1-6-4-9(2)5-7(3-8)10-6/h6-7H,4-5H2,1-2H3
InChIKeyBUYDNNIRXJMZPD-UHFFFAOYSA-N
MW140.19 g/mol
LogP0.23
Rot. Bonds

About 4,6-dimethylmorpholine-2-carbonitrile

4,6-dimethylmorpholine-2-carbonitrile (PubChem CID 134129747) has the molecular formula C7H12N2O and a molecular weight of 140.19 g/mol. Its IUPAC name is 4,6-dimethylmorpholine-2-carbonitrile.

Molecular Properties

Compound Name4,6-dimethylmorpholine-2-carbonitrile
PubChem CID134129747
Molecular FormulaC7H12N2O
Molecular Weight140.19 g/mol
Exact Mass140.09
IUPAC Name4,6-dimethylmorpholine-2-carbonitrile
SMILESCC1CN(C)CC(C#N)O1
InChIInChI=1S/C7H12N2O/c1-6-4-9(2)5-7(3-8)10-6/h6-7H,4-5H2,1-2H3
InChIKeyBUYDNNIRXJMZPD-UHFFFAOYSA-N
XLogP0.23
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 ≤ 50.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4,6-dimethylmorpholine-2-carbonitrile?
The IUPAC name of 4,6-dimethylmorpholine-2-carbonitrile (CID 134129747) is 4,6-dimethylmorpholine-2-carbonitrile.
What is the SMILES notation for 4,6-dimethylmorpholine-2-carbonitrile?
The canonical SMILES for 4,6-dimethylmorpholine-2-carbonitrile is CC1CN(C)CC(C#N)O1.
What is the InChIKey of 4,6-dimethylmorpholine-2-carbonitrile?
The InChIKey is BUYDNNIRXJMZPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12N2O/c1-6-4-9(2)5-7(3-8)10-6/h6-7H,4-5H2,1-2H3.
What are the key properties of 4,6-dimethylmorpholine-2-carbonitrile?
4,6-dimethylmorpholine-2-carbonitrile has a molecular weight of 140.19 g/mol, XLogP of 0.23, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4,6-dimethylmorpholine-2-carbonitrile is sourced from PubChem (CID 134129747), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).