2-(2-methylmorpholin-4-yl)propanedinitrile

C8H11N3O — CID 130659134

IUPAC2-(2-methylmorpholin-4-yl)propanedinitrile
SMILESCC1CN(C(C#N)C#N)CCO1
InChIInChI=1S/C8H11N3O/c1-7-6-11(2-3-12-7)8(4-9)5-10/h7-8H,2-3,6H2,1H3
InChIKeyISNIGNSYVPXBHO-UHFFFAOYSA-N
MW165.20 g/mol
LogP0.12
Rot. Bonds1

About 2-(2-methylmorpholin-4-yl)propanedinitrile

2-(2-methylmorpholin-4-yl)propanedinitrile (PubChem CID 130659134) has the molecular formula C8H11N3O and a molecular weight of 165.20 g/mol. Its IUPAC name is 2-(2-methylmorpholin-4-yl)propanedinitrile.

Molecular Properties

Compound Name2-(2-methylmorpholin-4-yl)propanedinitrile
PubChem CID130659134
Molecular FormulaC8H11N3O
Molecular Weight165.20 g/mol
Exact Mass165.09
IUPAC Name2-(2-methylmorpholin-4-yl)propanedinitrile
SMILESCC1CN(C(C#N)C#N)CCO1
InChIInChI=1S/C8H11N3O/c1-7-6-11(2-3-12-7)8(4-9)5-10/h7-8H,2-3,6H2,1H3
InChIKeyISNIGNSYVPXBHO-UHFFFAOYSA-N
XLogP0.12
TPSA60.05 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500165.20
LogP ≤ 50.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(2-methylmorpholin-4-yl)propanedinitrile?
The IUPAC name of 2-(2-methylmorpholin-4-yl)propanedinitrile (CID 130659134) is 2-(2-methylmorpholin-4-yl)propanedinitrile.
What is the SMILES notation for 2-(2-methylmorpholin-4-yl)propanedinitrile?
The canonical SMILES for 2-(2-methylmorpholin-4-yl)propanedinitrile is CC1CN(C(C#N)C#N)CCO1.
What is the InChIKey of 2-(2-methylmorpholin-4-yl)propanedinitrile?
The InChIKey is ISNIGNSYVPXBHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11N3O/c1-7-6-11(2-3-12-7)8(4-9)5-10/h7-8H,2-3,6H2,1H3.
What are the key properties of 2-(2-methylmorpholin-4-yl)propanedinitrile?
2-(2-methylmorpholin-4-yl)propanedinitrile has a molecular weight of 165.20 g/mol, XLogP of 0.12, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methylmorpholin-4-yl)propanedinitrile is sourced from PubChem (CID 130659134), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).