2-methyl-2-morpholin-4-ylbutanenitrile

C9H16N2O — CID 11839187

IUPAC2-methyl-2-morpholin-4-ylbutanenitrile
SMILESCCC(C)(C#N)N1CCOCC1
InChIInChI=1S/C9H16N2O/c1-3-9(2,8-10)11-4-6-12-7-5-11/h3-7H2,1-2H3
InChIKeyFHCHHLCZCPAHBB-UHFFFAOYSA-N
MW168.24 g/mol
LogP1.01
Rot. Bonds2

About 2-methyl-2-morpholin-4-ylbutanenitrile

2-methyl-2-morpholin-4-ylbutanenitrile (PubChem CID 11839187) has the molecular formula C9H16N2O and a molecular weight of 168.24 g/mol. Its IUPAC name is 2-methyl-2-morpholin-4-ylbutanenitrile.

Molecular Properties

Compound Name2-methyl-2-morpholin-4-ylbutanenitrile
PubChem CID11839187
Molecular FormulaC9H16N2O
Molecular Weight168.24 g/mol
Exact Mass168.13
IUPAC Name2-methyl-2-morpholin-4-ylbutanenitrile
SMILESCCC(C)(C#N)N1CCOCC1
InChIInChI=1S/C9H16N2O/c1-3-9(2,8-10)11-4-6-12-7-5-11/h3-7H2,1-2H3
InChIKeyFHCHHLCZCPAHBB-UHFFFAOYSA-N
XLogP1.01
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 ≤ 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-morpholin-4-ylbutanenitrile?
The IUPAC name of 2-methyl-2-morpholin-4-ylbutanenitrile (CID 11839187) is 2-methyl-2-morpholin-4-ylbutanenitrile.
What is the SMILES notation for 2-methyl-2-morpholin-4-ylbutanenitrile?
The canonical SMILES for 2-methyl-2-morpholin-4-ylbutanenitrile is CCC(C)(C#N)N1CCOCC1.
What is the InChIKey of 2-methyl-2-morpholin-4-ylbutanenitrile?
The InChIKey is FHCHHLCZCPAHBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N2O/c1-3-9(2,8-10)11-4-6-12-7-5-11/h3-7H2,1-2H3.
What are the key properties of 2-methyl-2-morpholin-4-ylbutanenitrile?
2-methyl-2-morpholin-4-ylbutanenitrile has a molecular weight of 168.24 g/mol, XLogP of 1.01, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-2-morpholin-4-ylbutanenitrile is sourced from PubChem (CID 11839187), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).