2-methyl-2-[(2R)-2-methylmorpholin-4-yl]propanenitrile

C9H16N2O — CID 131160202

IUPAC2-methyl-2-[(2R)-2-methylmorpholin-4-yl]propanenitrile
SMILESC[C@@H]1CN(C(C)(C)C#N)CCO1
InChIInChI=1S/C9H16N2O/c1-8-6-11(4-5-12-8)9(2,3)7-10/h8H,4-6H2,1-3H3/t8-/m1/s1
InChIKeyQXOCSZHICPBMLE-MRVPVSSYSA-N
MW168.24 g/mol
LogP1.01
Rot. Bonds1

About 2-methyl-2-[(2R)-2-methylmorpholin-4-yl]propanenitrile

2-methyl-2-[(2R)-2-methylmorpholin-4-yl]propanenitrile (PubChem CID 131160202) has the molecular formula C9H16N2O and a molecular weight of 168.24 g/mol. Its IUPAC name is 2-methyl-2-[(2R)-2-methylmorpholin-4-yl]propanenitrile.

Molecular Properties

Compound Name2-methyl-2-[(2R)-2-methylmorpholin-4-yl]propanenitrile
PubChem CID131160202
Molecular FormulaC9H16N2O
Molecular Weight168.24 g/mol
Exact Mass168.13
IUPAC Name2-methyl-2-[(2R)-2-methylmorpholin-4-yl]propanenitrile
SMILESC[C@@H]1CN(C(C)(C)C#N)CCO1
InChIInChI=1S/C9H16N2O/c1-8-6-11(4-5-12-8)9(2,3)7-10/h8H,4-6H2,1-3H3/t8-/m1/s1
InChIKeyQXOCSZHICPBMLE-MRVPVSSYSA-N
XLogP1.01
TPSA36.26 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.24
LogP ≤ 51.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-2-[(2R)-2-methylmorpholin-4-yl]propanenitrile?
The IUPAC name of 2-methyl-2-[(2R)-2-methylmorpholin-4-yl]propanenitrile (CID 131160202) is 2-methyl-2-[(2R)-2-methylmorpholin-4-yl]propanenitrile.
What is the SMILES notation for 2-methyl-2-[(2R)-2-methylmorpholin-4-yl]propanenitrile?
The canonical SMILES for 2-methyl-2-[(2R)-2-methylmorpholin-4-yl]propanenitrile is C[C@@H]1CN(C(C)(C)C#N)CCO1.
What is the InChIKey of 2-methyl-2-[(2R)-2-methylmorpholin-4-yl]propanenitrile?
The InChIKey is QXOCSZHICPBMLE-MRVPVSSYSA-N. The full InChI is InChI=1S/C9H16N2O/c1-8-6-11(4-5-12-8)9(2,3)7-10/h8H,4-6H2,1-3H3/t8-/m1/s1.
What are the key properties of 2-methyl-2-[(2R)-2-methylmorpholin-4-yl]propanenitrile?
2-methyl-2-[(2R)-2-methylmorpholin-4-yl]propanenitrile has a molecular weight of 168.24 g/mol, XLogP of 1.01, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-2-[(2R)-2-methylmorpholin-4-yl]propanenitrile is sourced from PubChem (CID 131160202), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).