3-oxo-2-pyridin-4-yl-3-(2,2,3,3-tetramethylcyclopropyl)propanenitrile

C15H18N2O — CID 80525210

IUPAC3-oxo-2-pyridin-4-yl-3-(2,2,3,3-tetramethylcyclopropyl)propanenitrile
SMILESCC1(C)C(C(=O)C(C#N)c2ccncc2)C1(C)C
InChIInChI=1S/C15H18N2O/c1-14(2)13(15(14,3)4)12(18)11(9-16)10-5-7-17-8-6-10/h5-8,11,13H,1-4H3
InChIKeySDDRKNLSWMPPMW-UHFFFAOYSA-N
MW242.32 g/mol
LogP2.94
Rot. Bonds3

About 3-oxo-2-pyridin-4-yl-3-(2,2,3,3-tetramethylcyclopropyl)propanenitrile

3-oxo-2-pyridin-4-yl-3-(2,2,3,3-tetramethylcyclopropyl)propanenitrile (PubChem CID 80525210) has the molecular formula C15H18N2O and a molecular weight of 242.32 g/mol. Its IUPAC name is 3-oxo-2-pyridin-4-yl-3-(2,2,3,3-tetramethylcyclopropyl)propanenitrile.

Molecular Properties

Compound Name3-oxo-2-pyridin-4-yl-3-(2,2,3,3-tetramethylcyclopropyl)propanenitrile
PubChem CID80525210
Molecular FormulaC15H18N2O
Molecular Weight242.32 g/mol
Exact Mass242.14
IUPAC Name3-oxo-2-pyridin-4-yl-3-(2,2,3,3-tetramethylcyclopropyl)propanenitrile
SMILESCC1(C)C(C(=O)C(C#N)c2ccncc2)C1(C)C
InChIInChI=1S/C15H18N2O/c1-14(2)13(15(14,3)4)12(18)11(9-16)10-5-7-17-8-6-10/h5-8,11,13H,1-4H3
InChIKeySDDRKNLSWMPPMW-UHFFFAOYSA-N
XLogP2.94
TPSA53.75 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.32
LogP ≤ 52.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

3-oxo-2-pyridin-3-yl-3-(2,2,3,3-tetramethylcyclopropyl)propanenitrile
CID 80523694
3-(2,2-dimethylcyclopropyl)-3-oxo-2-pyridin-4-ylpropanenitrile
CID 107001689
2-(1,3-benzodioxol-5-yl)-3-oxo-3-(2,2,3,3-tetramethylcyclopropyl)propanenitrile
CID 66477474
2-(2-chlorophenyl)-3-oxo-3-(2,2,3,3-tetramethylcyclopropyl)propanenitrile
CID 66478242
3-oxo-2-pyridin-4-yloctanenitrile
CID 80525354
2-(2-methoxyphenyl)-3-oxo-3-(2,2,3,3-tetramethylcyclopropyl)propanenitrile
CID 66477278
3-oxo-2-pyridin-4-yl-3-[2-(trifluoromethyl)cyclohexyl]propanenitrile
CID 104622216
3-(4-iodophenyl)-3-oxo-2-pyridin-4-ylpropanenitrile
CID 80525341
2-(5-chloro-2-methoxyphenyl)-3-oxo-3-(2,2,3,3-tetramethylcyclopropyl)propanenitrile
CID 66477472
3-(5-fluoro-2-methylphenyl)-3-oxo-2-pyridin-4-ylpropanenitrile
CID 80525361
3-(3,4-dichlorophenyl)-3-oxo-2-pyridin-4-ylpropanenitrile
CID 80525125
(3R)-3-cyano-3-pyridin-4-ylpropanoic acid
CID 94827088

Frequently Asked Questions

What is the IUPAC name of 3-oxo-2-pyridin-4-yl-3-(2,2,3,3-tetramethylcyclopropyl)propanenitrile?
The IUPAC name of 3-oxo-2-pyridin-4-yl-3-(2,2,3,3-tetramethylcyclopropyl)propanenitrile (CID 80525210) is 3-oxo-2-pyridin-4-yl-3-(2,2,3,3-tetramethylcyclopropyl)propanenitrile.
What is the SMILES notation for 3-oxo-2-pyridin-4-yl-3-(2,2,3,3-tetramethylcyclopropyl)propanenitrile?
The canonical SMILES for 3-oxo-2-pyridin-4-yl-3-(2,2,3,3-tetramethylcyclopropyl)propanenitrile is CC1(C)C(C(=O)C(C#N)c2ccncc2)C1(C)C.
What is the InChIKey of 3-oxo-2-pyridin-4-yl-3-(2,2,3,3-tetramethylcyclopropyl)propanenitrile?
The InChIKey is SDDRKNLSWMPPMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2O/c1-14(2)13(15(14,3)4)12(18)11(9-16)10-5-7-17-8-6-10/h5-8,11,13H,1-4H3.
What are the key properties of 3-oxo-2-pyridin-4-yl-3-(2,2,3,3-tetramethylcyclopropyl)propanenitrile?
3-oxo-2-pyridin-4-yl-3-(2,2,3,3-tetramethylcyclopropyl)propanenitrile has a molecular weight of 242.32 g/mol, XLogP of 2.94, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-oxo-2-pyridin-4-yl-3-(2,2,3,3-tetramethylcyclopropyl)propanenitrile is sourced from PubChem (CID 80525210), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).