3-oxo-2-pyridin-2-yl-3-(2,4,5-trimethylfuran-3-yl)propanenitrile

C15H14N2O2 — CID 47179848

IUPAC3-oxo-2-pyridin-2-yl-3-(2,4,5-trimethylfuran-3-yl)propanenitrile
SMILESCc1oc(C)c(C(=O)C(C#N)c2ccccn2)c1C
InChIInChI=1S/C15H14N2O2/c1-9-10(2)19-11(3)14(9)15(18)12(8-16)13-6-4-5-7-17-13/h4-7,12H,1-3H3
InChIKeyJHGUOHNDNNVGIY-UHFFFAOYSA-N
MW254.29 g/mol
LogP3.09
Rot. Bonds3

About 3-oxo-2-pyridin-2-yl-3-(2,4,5-trimethylfuran-3-yl)propanenitrile

3-oxo-2-pyridin-2-yl-3-(2,4,5-trimethylfuran-3-yl)propanenitrile (PubChem CID 47179848) has the molecular formula C15H14N2O2 and a molecular weight of 254.29 g/mol. Its IUPAC name is 3-oxo-2-pyridin-2-yl-3-(2,4,5-trimethylfuran-3-yl)propanenitrile.

Molecular Properties

Compound Name3-oxo-2-pyridin-2-yl-3-(2,4,5-trimethylfuran-3-yl)propanenitrile
PubChem CID47179848
Molecular FormulaC15H14N2O2
Molecular Weight254.29 g/mol
Exact Mass254.11
IUPAC Name3-oxo-2-pyridin-2-yl-3-(2,4,5-trimethylfuran-3-yl)propanenitrile
SMILESCc1oc(C)c(C(=O)C(C#N)c2ccccn2)c1C
InChIInChI=1S/C15H14N2O2/c1-9-10(2)19-11(3)14(9)15(18)12(8-16)13-6-4-5-7-17-13/h4-7,12H,1-3H3
InChIKeyJHGUOHNDNNVGIY-UHFFFAOYSA-N
XLogP3.09
TPSA66.89 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.29
LogP ≤ 53.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-(2-bromophenyl)-3-oxo-3-(2,4,5-trimethylfuran-3-yl)propanenitrile
CID 65152944
2-(2,6-dichlorophenyl)-3-oxo-3-(2,4,5-trimethylfuran-3-yl)propanenitrile
CID 65153338
(2S)-3-(furan-2-yl)-3-oxo-2-pyridin-2-ylpropanenitrile
CID 2321213
(E,2R)-5-(5-methylfuran-2-yl)-3-oxo-2-pyridin-2-ylpent-4-enenitrile
CID 94189734
2-(3-chloro-2-fluorophenyl)-3-oxo-3-(2,4,5-trimethylfuran-3-yl)propanenitrile
CID 82789109
3-(2-chloro-6-fluorophenyl)-3-oxo-2-pyridin-2-ylpropanenitrile
CID 78908809
3-(5-nitrofuran-2-yl)-3-oxo-2-pyridin-2-ylpropanenitrile
CID 47108174
(2R)-3-(5-nitrofuran-2-yl)-3-oxo-2-pyridin-2-ylpropanenitrile
CID 94101217
methyl 3-cyano-2-oxo-3-pyridin-2-ylpropanoate
CID 3528141
3-naphthalen-2-yl-3-oxo-2-pyridin-2-ylpropanenitrile
CID 78908818
2-(2-chloro-4-fluorophenyl)-3-oxo-3-(2,4,5-trimethylfuran-3-yl)propanenitrile
CID 65152993
(2R)-N-tert-butyl-2-cyano-2-pyridin-2-ylacetamide
CID 97253743

Frequently Asked Questions

What is the IUPAC name of 3-oxo-2-pyridin-2-yl-3-(2,4,5-trimethylfuran-3-yl)propanenitrile?
The IUPAC name of 3-oxo-2-pyridin-2-yl-3-(2,4,5-trimethylfuran-3-yl)propanenitrile (CID 47179848) is 3-oxo-2-pyridin-2-yl-3-(2,4,5-trimethylfuran-3-yl)propanenitrile.
What is the SMILES notation for 3-oxo-2-pyridin-2-yl-3-(2,4,5-trimethylfuran-3-yl)propanenitrile?
The canonical SMILES for 3-oxo-2-pyridin-2-yl-3-(2,4,5-trimethylfuran-3-yl)propanenitrile is Cc1oc(C)c(C(=O)C(C#N)c2ccccn2)c1C.
What is the InChIKey of 3-oxo-2-pyridin-2-yl-3-(2,4,5-trimethylfuran-3-yl)propanenitrile?
The InChIKey is JHGUOHNDNNVGIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N2O2/c1-9-10(2)19-11(3)14(9)15(18)12(8-16)13-6-4-5-7-17-13/h4-7,12H,1-3H3.
What are the key properties of 3-oxo-2-pyridin-2-yl-3-(2,4,5-trimethylfuran-3-yl)propanenitrile?
3-oxo-2-pyridin-2-yl-3-(2,4,5-trimethylfuran-3-yl)propanenitrile has a molecular weight of 254.29 g/mol, XLogP of 3.09, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-oxo-2-pyridin-2-yl-3-(2,4,5-trimethylfuran-3-yl)propanenitrile is sourced from PubChem (CID 47179848), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).