2-[(1-methyl-2-oxo-5-propan-2-yl-4-pyridinyl)oxy]acetonitrile

C11H14N2O2 — CID 146972618

IUPAC2-[(1-methyl-2-oxo-5-propan-2-yl-4-pyridinyl)oxy]acetonitrile
SMILESCC(C)c1cn(C)c(=O)cc1OCC#N
InChIInChI=1S/C11H14N2O2/c1-8(2)9-7-13(3)11(14)6-10(9)15-5-4-12/h6-8H,5H2,1-3H3
InChIKeyAMSOWPKPGHXRTD-UHFFFAOYSA-N
MW206.24 g/mol
LogP1.41
Rot. Bonds3

About 2-[(1-methyl-2-oxo-5-propan-2-yl-4-pyridinyl)oxy]acetonitrile

2-[(1-methyl-2-oxo-5-propan-2-yl-4-pyridinyl)oxy]acetonitrile (PubChem CID 146972618) has the molecular formula C11H14N2O2 and a molecular weight of 206.24 g/mol. Its IUPAC name is 2-[(1-methyl-2-oxo-5-propan-2-yl-4-pyridinyl)oxy]acetonitrile.

Molecular Properties

Compound Name2-[(1-methyl-2-oxo-5-propan-2-yl-4-pyridinyl)oxy]acetonitrile
PubChem CID146972618
Molecular FormulaC11H14N2O2
Molecular Weight206.24 g/mol
Exact Mass206.11
IUPAC Name2-[(1-methyl-2-oxo-5-propan-2-yl-4-pyridinyl)oxy]acetonitrile
SMILESCC(C)c1cn(C)c(=O)cc1OCC#N
InChIInChI=1S/C11H14N2O2/c1-8(2)9-7-13(3)11(14)6-10(9)15-5-4-12/h6-8H,5H2,1-3H3
InChIKeyAMSOWPKPGHXRTD-UHFFFAOYSA-N
XLogP1.41
TPSA55.02 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.24
LogP ≤ 51.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 2-[(1-methyl-2-oxo-5-propan-2-yl-4-pyridinyl)oxy]acetonitrile with MolForge

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

Launch Full Analysis

Related Compounds

2-(1,3-dimethyl-6-propan-2-ylindol-5-yl)oxyacetonitrile
CID 157432602
2-(4-fluoro-2-propan-2-ylphenoxy)acetonitrile
CID 129178506
2-(4-methoxy-5-nitro-2-propan-2-ylphenoxy)acetonitrile
CID 59598723
4-bromo-1-methyl-5-propan-2-ylpyridin-2-one
CID 177314386
2-(5-chloro-4-methyl-2-propan-2-ylphenoxy)acetonitrile;(E)-2-(5-chloro-4-methyl-2-propan-2-ylphenoxy)-3-methoxyprop-2-enenitrile
CID 162031098
5-iodo-4-methoxy-2-propan-2-ylphenol;2-(5-iodo-4-methoxy-2-propan-2-ylphenoxy)acetonitrile;methane
CID 158050568
2-[2-(1-hydroxyethyl)-4-nitrophenoxy]acetonitrile
CID 116542044
2-[4-methyl-2-[1-(methylamino)ethyl]phenoxy]acetonitrile
CID 60889997
CID 88901759
CID 88901759
2-[2-[1-(ethylamino)ethyl]-4-methylphenoxy]acetonitrile
CID 60887297
2-(2-ethylphenoxy)acetonitrile
CID 22688439
2-(2-propan-2-ylpyrimidin-5-yl)oxyacetonitrile
CID 176649876

Frequently Asked Questions

What is the IUPAC name of 2-[(1-methyl-2-oxo-5-propan-2-yl-4-pyridinyl)oxy]acetonitrile?
The IUPAC name of 2-[(1-methyl-2-oxo-5-propan-2-yl-4-pyridinyl)oxy]acetonitrile (CID 146972618) is 2-[(1-methyl-2-oxo-5-propan-2-yl-4-pyridinyl)oxy]acetonitrile.
What is the SMILES notation for 2-[(1-methyl-2-oxo-5-propan-2-yl-4-pyridinyl)oxy]acetonitrile?
The canonical SMILES for 2-[(1-methyl-2-oxo-5-propan-2-yl-4-pyridinyl)oxy]acetonitrile is CC(C)c1cn(C)c(=O)cc1OCC#N.
What is the InChIKey of 2-[(1-methyl-2-oxo-5-propan-2-yl-4-pyridinyl)oxy]acetonitrile?
The InChIKey is AMSOWPKPGHXRTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N2O2/c1-8(2)9-7-13(3)11(14)6-10(9)15-5-4-12/h6-8H,5H2,1-3H3.
What are the key properties of 2-[(1-methyl-2-oxo-5-propan-2-yl-4-pyridinyl)oxy]acetonitrile?
2-[(1-methyl-2-oxo-5-propan-2-yl-4-pyridinyl)oxy]acetonitrile has a molecular weight of 206.24 g/mol, XLogP of 1.41, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1-methyl-2-oxo-5-propan-2-yl-4-pyridinyl)oxy]acetonitrile is sourced from PubChem (CID 146972618), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).