(2R)-3-methyl-2-morpholin-4-ylbutanenitrile

C9H16N2O — CID 92787269

IUPAC(2R)-3-methyl-2-morpholin-4-ylbutanenitrile
SMILESCC(C)[C@H](C#N)N1CCOCC1
InChIInChI=1S/C9H16N2O/c1-8(2)9(7-10)11-3-5-12-6-4-11/h8-9H,3-6H2,1-2H3/t9-/m0/s1
InChIKeyXAQYDKNBJQZQER-VIFPVBQESA-N
MW168.24 g/mol
LogP0.87
Rot. Bonds2

About (2R)-3-methyl-2-morpholin-4-ylbutanenitrile

(2R)-3-methyl-2-morpholin-4-ylbutanenitrile (PubChem CID 92787269) has the molecular formula C9H16N2O and a molecular weight of 168.24 g/mol. Its IUPAC name is (2R)-3-methyl-2-morpholin-4-ylbutanenitrile.

Molecular Properties

Compound Name(2R)-3-methyl-2-morpholin-4-ylbutanenitrile
PubChem CID92787269
Molecular FormulaC9H16N2O
Molecular Weight168.24 g/mol
Exact Mass168.13
IUPAC Name(2R)-3-methyl-2-morpholin-4-ylbutanenitrile
SMILESCC(C)[C@H](C#N)N1CCOCC1
InChIInChI=1S/C9H16N2O/c1-8(2)9(7-10)11-3-5-12-6-4-11/h8-9H,3-6H2,1-2H3/t9-/m0/s1
InChIKeyXAQYDKNBJQZQER-VIFPVBQESA-N
XLogP0.87
TPSA36.26 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.24
LogP ≤ 50.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze (2R)-3-methyl-2-morpholin-4-ylbutanenitrile with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (2R)-3-methyl-2-morpholin-4-ylbutanenitrile?
The IUPAC name of (2R)-3-methyl-2-morpholin-4-ylbutanenitrile (CID 92787269) is (2R)-3-methyl-2-morpholin-4-ylbutanenitrile.
What is the SMILES notation for (2R)-3-methyl-2-morpholin-4-ylbutanenitrile?
The canonical SMILES for (2R)-3-methyl-2-morpholin-4-ylbutanenitrile is CC(C)[C@H](C#N)N1CCOCC1.
What is the InChIKey of (2R)-3-methyl-2-morpholin-4-ylbutanenitrile?
The InChIKey is XAQYDKNBJQZQER-VIFPVBQESA-N. The full InChI is InChI=1S/C9H16N2O/c1-8(2)9(7-10)11-3-5-12-6-4-11/h8-9H,3-6H2,1-2H3/t9-/m0/s1.
What are the key properties of (2R)-3-methyl-2-morpholin-4-ylbutanenitrile?
(2R)-3-methyl-2-morpholin-4-ylbutanenitrile has a molecular weight of 168.24 g/mol, XLogP of 0.87, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-3-methyl-2-morpholin-4-ylbutanenitrile is sourced from PubChem (CID 92787269), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).