2-methyl-3-morpholin-4-ylpropanenitrile

C8H14N2O — CID 13401686

IUPAC2-methyl-3-morpholin-4-ylpropanenitrile
SMILESCC(C#N)CN1CCOCC1
InChIInChI=1S/C8H14N2O/c1-8(6-9)7-10-2-4-11-5-3-10/h8H,2-5,7H2,1H3
InChIKeyJXQSZQWKSMYNGQ-UHFFFAOYSA-N
MW154.21 g/mol
LogP0.48
Rot. Bonds2

About 2-methyl-3-morpholin-4-ylpropanenitrile

2-methyl-3-morpholin-4-ylpropanenitrile (PubChem CID 13401686) has the molecular formula C8H14N2O and a molecular weight of 154.21 g/mol. Its IUPAC name is 2-methyl-3-morpholin-4-ylpropanenitrile.

Molecular Properties

Compound Name2-methyl-3-morpholin-4-ylpropanenitrile
PubChem CID13401686
Molecular FormulaC8H14N2O
Molecular Weight154.21 g/mol
Exact Mass154.11
IUPAC Name2-methyl-3-morpholin-4-ylpropanenitrile
SMILESCC(C#N)CN1CCOCC1
InChIInChI=1S/C8H14N2O/c1-8(6-9)7-10-2-4-11-5-3-10/h8H,2-5,7H2,1H3
InChIKeyJXQSZQWKSMYNGQ-UHFFFAOYSA-N
XLogP0.48
TPSA36.26 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.21
LogP ≤ 50.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-3-morpholin-4-ylpropanenitrile?
The IUPAC name of 2-methyl-3-morpholin-4-ylpropanenitrile (CID 13401686) is 2-methyl-3-morpholin-4-ylpropanenitrile.
What is the SMILES notation for 2-methyl-3-morpholin-4-ylpropanenitrile?
The canonical SMILES for 2-methyl-3-morpholin-4-ylpropanenitrile is CC(C#N)CN1CCOCC1.
What is the InChIKey of 2-methyl-3-morpholin-4-ylpropanenitrile?
The InChIKey is JXQSZQWKSMYNGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14N2O/c1-8(6-9)7-10-2-4-11-5-3-10/h8H,2-5,7H2,1H3.
What are the key properties of 2-methyl-3-morpholin-4-ylpropanenitrile?
2-methyl-3-morpholin-4-ylpropanenitrile has a molecular weight of 154.21 g/mol, XLogP of 0.48, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-3-morpholin-4-ylpropanenitrile is sourced from PubChem (CID 13401686), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).