(2S)-2-methyl-3-morpholin-4-ylpropanenitrile

C8H14N2O — CID 39161429

IUPAC(2S)-2-methyl-3-morpholin-4-ylpropanenitrile
SMILESC[C@H](C#N)CN1CCOCC1
InChIInChI=1S/C8H14N2O/c1-8(6-9)7-10-2-4-11-5-3-10/h8H,2-5,7H2,1H3/t8-/m1/s1
InChIKeyJXQSZQWKSMYNGQ-MRVPVSSYSA-N
MW154.21 g/mol
LogP0.48
Rot. Bonds2

About (2S)-2-methyl-3-morpholin-4-ylpropanenitrile

(2S)-2-methyl-3-morpholin-4-ylpropanenitrile (PubChem CID 39161429) has the molecular formula C8H14N2O and a molecular weight of 154.21 g/mol. Its IUPAC name is (2S)-2-methyl-3-morpholin-4-ylpropanenitrile.

Molecular Properties

Compound Name(2S)-2-methyl-3-morpholin-4-ylpropanenitrile
PubChem CID39161429
Molecular FormulaC8H14N2O
Molecular Weight154.21 g/mol
Exact Mass154.11
IUPAC Name(2S)-2-methyl-3-morpholin-4-ylpropanenitrile
SMILESC[C@H](C#N)CN1CCOCC1
InChIInChI=1S/C8H14N2O/c1-8(6-9)7-10-2-4-11-5-3-10/h8H,2-5,7H2,1H3/t8-/m1/s1
InChIKeyJXQSZQWKSMYNGQ-MRVPVSSYSA-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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Related Compounds

3-(azetidin-1-yl)-2-methylpropanenitrile
CID 130161753
3-methyl-2-(1,4-oxazepan-4-ylmethyl)butanenitrile
CID 131000694
2-methyl-3-thiomorpholin-4-ylpropanenitrile
CID 43174855
3-(4-butan-2-ylpiperazin-1-yl)-2-methylpropanenitrile
CID 62772469
2-(methylamino)-3-(1,4-oxazepan-4-yl)propanenitrile
CID 62974947
butane;4-(2-methylpropyl)morpholine
CID 155751822
4-[(2R)-1-morpholin-4-ylpropan-2-yl]morpholine
CID 28775628
4-[2-[4-(2-methylpropyl)piperazin-1-yl]ethyl]morpholine
CID 91228276
3-(4-ethylsulfonylpiperazin-1-yl)-2-methylpropanenitrile
CID 82020251
2-methyl-3-(4-triethylsilylpiperazin-1-yl)propanenitrile
CID 140660684
2-methyl-4-morpholin-4-yl-4-oxobutanenitrile
CID 82111559
ethane;4-(2-methylbutyl)morpholine
CID 142525427

Frequently Asked Questions

What is the IUPAC name of (2S)-2-methyl-3-morpholin-4-ylpropanenitrile?
The IUPAC name of (2S)-2-methyl-3-morpholin-4-ylpropanenitrile (CID 39161429) is (2S)-2-methyl-3-morpholin-4-ylpropanenitrile.
What is the SMILES notation for (2S)-2-methyl-3-morpholin-4-ylpropanenitrile?
The canonical SMILES for (2S)-2-methyl-3-morpholin-4-ylpropanenitrile is C[C@H](C#N)CN1CCOCC1.
What is the InChIKey of (2S)-2-methyl-3-morpholin-4-ylpropanenitrile?
The InChIKey is JXQSZQWKSMYNGQ-MRVPVSSYSA-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/t8-/m1/s1.
What are the key properties of (2S)-2-methyl-3-morpholin-4-ylpropanenitrile?
(2S)-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 (2S)-2-methyl-3-morpholin-4-ylpropanenitrile is sourced from PubChem (CID 39161429), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).