3-(3-ethoxy-2-oxo-1-pyridinyl)propanenitrile

C10H12N2O2 — CID 82143490

IUPAC3-(3-ethoxy-2-oxo-1-pyridinyl)propanenitrile
SMILESCCOc1cccn(CCC#N)c1=O
InChIInChI=1S/C10H12N2O2/c1-2-14-9-5-3-7-12(10(9)13)8-4-6-11/h3,5,7H,2,4,8H2,1H3
InChIKeyOPJJNIBLIDOKEU-UHFFFAOYSA-N
MW192.22 g/mol
LogP1.16
Rot. Bonds4

About 3-(3-ethoxy-2-oxo-1-pyridinyl)propanenitrile

3-(3-ethoxy-2-oxo-1-pyridinyl)propanenitrile (PubChem CID 82143490) has the molecular formula C10H12N2O2 and a molecular weight of 192.22 g/mol. Its IUPAC name is 3-(3-ethoxy-2-oxo-1-pyridinyl)propanenitrile.

Molecular Properties

Compound Name3-(3-ethoxy-2-oxo-1-pyridinyl)propanenitrile
PubChem CID82143490
Molecular FormulaC10H12N2O2
Molecular Weight192.22 g/mol
Exact Mass192.09
IUPAC Name3-(3-ethoxy-2-oxo-1-pyridinyl)propanenitrile
SMILESCCOc1cccn(CCC#N)c1=O
InChIInChI=1S/C10H12N2O2/c1-2-14-9-5-3-7-12(10(9)13)8-4-6-11/h3,5,7H,2,4,8H2,1H3
InChIKeyOPJJNIBLIDOKEU-UHFFFAOYSA-N
XLogP1.16
TPSA55.02 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.22
LogP ≤ 51.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-[[1-(2-cyanoethyl)-2-oxo-3-pyridinyl]oxy]-N,N-diethylacetamide
CID 82143469
2-[[1-(3-cyanopropyl)-2-oxo-3-pyridinyl]oxy]-N,N-diethylacetamide
CID 82151934
3-[3-[(3-chlorophenyl)methoxy]-2-oxo-1-pyridinyl]propanenitrile
CID 82143480
N-butyl-2-[[1-(3-cyanopropyl)-2-oxo-3-pyridinyl]oxy]-N-methylacetamide
CID 82151935
1-[2-(4-aminophenoxy)ethyl]-3-ethoxypyridin-2-one
CID 82151907
4-[3-[(4-chlorophenyl)methoxy]-2-oxo-1-pyridinyl]butanenitrile
CID 82151941
2-(2-oxo-3-prop-2-enoxy-1-pyridinyl)acetonitrile
CID 82143634
3-(2-ethoxyphenoxy)propanenitrile
CID 2345484
2-methyl-3-(2-oxo-3-propoxy-1-pyridinyl)propanenitrile
CID 82146374
5-(3-methyl-2-oxo-1-pyridinyl)pentanenitrile
CID 63172292
2-[3-[(2-methylphenyl)methoxy]-2-oxo-1-pyridinyl]acetonitrile
CID 82143632
3-[bis[(2-oxo-1-propyl-3-pyridinyl)oxy]gallanyloxy]-1-propylpyridin-2-one
CID 16687046

Frequently Asked Questions

What is the IUPAC name of 3-(3-ethoxy-2-oxo-1-pyridinyl)propanenitrile?
The IUPAC name of 3-(3-ethoxy-2-oxo-1-pyridinyl)propanenitrile (CID 82143490) is 3-(3-ethoxy-2-oxo-1-pyridinyl)propanenitrile.
What is the SMILES notation for 3-(3-ethoxy-2-oxo-1-pyridinyl)propanenitrile?
The canonical SMILES for 3-(3-ethoxy-2-oxo-1-pyridinyl)propanenitrile is CCOc1cccn(CCC#N)c1=O.
What is the InChIKey of 3-(3-ethoxy-2-oxo-1-pyridinyl)propanenitrile?
The InChIKey is OPJJNIBLIDOKEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N2O2/c1-2-14-9-5-3-7-12(10(9)13)8-4-6-11/h3,5,7H,2,4,8H2,1H3.
What are the key properties of 3-(3-ethoxy-2-oxo-1-pyridinyl)propanenitrile?
3-(3-ethoxy-2-oxo-1-pyridinyl)propanenitrile has a molecular weight of 192.22 g/mol, XLogP of 1.16, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-ethoxy-2-oxo-1-pyridinyl)propanenitrile is sourced from PubChem (CID 82143490), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).