2-methyl-4-morpholin-4-yl-4-oxobutanenitrile

C9H14N2O2 — CID 82111559

IUPAC2-methyl-4-morpholin-4-yl-4-oxobutanenitrile
SMILESCC(C#N)CC(=O)N1CCOCC1
InChIInChI=1S/C9H14N2O2/c1-8(7-10)6-9(12)11-2-4-13-5-3-11/h8H,2-6H2,1H3
InChIKeyJGEXICIXEDPOFS-UHFFFAOYSA-N
MW182.22 g/mol
LogP0.39
Rot. Bonds2

About 2-methyl-4-morpholin-4-yl-4-oxobutanenitrile

2-methyl-4-morpholin-4-yl-4-oxobutanenitrile (PubChem CID 82111559) has the molecular formula C9H14N2O2 and a molecular weight of 182.22 g/mol. Its IUPAC name is 2-methyl-4-morpholin-4-yl-4-oxobutanenitrile.

Molecular Properties

Compound Name2-methyl-4-morpholin-4-yl-4-oxobutanenitrile
PubChem CID82111559
Molecular FormulaC9H14N2O2
Molecular Weight182.22 g/mol
Exact Mass182.11
IUPAC Name2-methyl-4-morpholin-4-yl-4-oxobutanenitrile
SMILESCC(C#N)CC(=O)N1CCOCC1
InChIInChI=1S/C9H14N2O2/c1-8(7-10)6-9(12)11-2-4-13-5-3-11/h8H,2-6H2,1H3
InChIKeyJGEXICIXEDPOFS-UHFFFAOYSA-N
XLogP0.39
TPSA53.33 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.22
LogP ≤ 50.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

formaldehyde;3-methyl-1-morpholin-4-ylbutan-1-one
CID 143869951
2-methyl-3-[methyl-(1-morpholin-4-yl-1-oxopropan-2-yl)amino]propanenitrile
CID 54983450
2-(2-methylphenyl)-4-morpholin-4-yl-4-oxobutanenitrile
CID 82132494
4-(diethylamino)-3-methyl-1-morpholin-4-ylbutan-1-one
CID 166717166
(2R)-4-methyl-2-(2-morpholin-4-yl-2-oxoethyl)pentanoic acid
CID 54200282
(2R)-2-ethyl-4-morpholin-4-yl-4-oxobutanoic acid
CID 59930843
4-(diethylamino)-3-methyl-1-morpholin-4-ylpentan-1-one
CID 166717167
(2S)-2-methyl-3-morpholin-4-ylpropanenitrile
CID 39161429
2-[methyl-(2-morpholin-4-yl-2-oxoethyl)amino]acetonitrile
CID 60699929
3-methyl-2-(1,4-oxazepane-4-carbonyl)butanenitrile
CID 62974544
1-morpholin-4-yl-3-(propan-2-ylamino)propan-1-one
CID 60853589
2-(1-iodoethoxy)-1-morpholin-4-ylethanone
CID 139461043

Frequently Asked Questions

What is the IUPAC name of 2-methyl-4-morpholin-4-yl-4-oxobutanenitrile?
The IUPAC name of 2-methyl-4-morpholin-4-yl-4-oxobutanenitrile (CID 82111559) is 2-methyl-4-morpholin-4-yl-4-oxobutanenitrile.
What is the SMILES notation for 2-methyl-4-morpholin-4-yl-4-oxobutanenitrile?
The canonical SMILES for 2-methyl-4-morpholin-4-yl-4-oxobutanenitrile is CC(C#N)CC(=O)N1CCOCC1.
What is the InChIKey of 2-methyl-4-morpholin-4-yl-4-oxobutanenitrile?
The InChIKey is JGEXICIXEDPOFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N2O2/c1-8(7-10)6-9(12)11-2-4-13-5-3-11/h8H,2-6H2,1H3.
What are the key properties of 2-methyl-4-morpholin-4-yl-4-oxobutanenitrile?
2-methyl-4-morpholin-4-yl-4-oxobutanenitrile has a molecular weight of 182.22 g/mol, XLogP of 0.39, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-4-morpholin-4-yl-4-oxobutanenitrile is sourced from PubChem (CID 82111559), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).