2-[3-(furan-2-yl)-3-oxo-1-thiophen-2-ylpropyl]propanedinitrile

C14H10N2O2S — CID 14950540

IUPAC2-[3-(furan-2-yl)-3-oxo-1-thiophen-2-ylpropyl]propanedinitrile
SMILESN#CC(C#N)C(CC(=O)c1ccco1)c1cccs1
InChIInChI=1S/C14H10N2O2S/c15-8-10(9-16)11(14-4-2-6-19-14)7-12(17)13-3-1-5-18-13/h1-6,10-11H,7H2
InChIKeyZQIRKLCQSSOTNP-UHFFFAOYSA-N
MW270.31 g/mol
LogP3.36
Rot. Bonds5

About 2-[3-(furan-2-yl)-3-oxo-1-thiophen-2-ylpropyl]propanedinitrile

2-[3-(furan-2-yl)-3-oxo-1-thiophen-2-ylpropyl]propanedinitrile (PubChem CID 14950540) has the molecular formula C14H10N2O2S and a molecular weight of 270.31 g/mol. Its IUPAC name is 2-[3-(furan-2-yl)-3-oxo-1-thiophen-2-ylpropyl]propanedinitrile.

Molecular Properties

Compound Name2-[3-(furan-2-yl)-3-oxo-1-thiophen-2-ylpropyl]propanedinitrile
PubChem CID14950540
Molecular FormulaC14H10N2O2S
Molecular Weight270.31 g/mol
Exact Mass270.05
IUPAC Name2-[3-(furan-2-yl)-3-oxo-1-thiophen-2-ylpropyl]propanedinitrile
SMILESN#CC(C#N)C(CC(=O)c1ccco1)c1cccs1
InChIInChI=1S/C14H10N2O2S/c15-8-10(9-16)11(14-4-2-6-19-14)7-12(17)13-3-1-5-18-13/h1-6,10-11H,7H2
InChIKeyZQIRKLCQSSOTNP-UHFFFAOYSA-N
XLogP3.36
TPSA77.79 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.31
LogP ≤ 53.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-[(1S)-3-(4-bromophenyl)-3-oxo-1-thiophen-2-ylpropyl]propanedinitrile
CID 25273811
N-[cyano(thiophen-2-yl)methyl]furan-2-carboxamide
CID 13075816
1-(furan-2-yl)-3-(4-methylphenyl)-3-thiophen-2-ylpropan-1-one
CID 23824722
4-[3-(furan-2-yl)-1-hydroxy-3-oxopropyl]benzonitrile
CID 22297935
N-[2-[methyl(1-thiophen-2-ylethyl)amino]-2-oxoethyl]furan-2-carboxamide
CID 47126244
furan-2-yl-[4-(1-thiophen-2-ylethyl)piperazin-1-yl]methanone
CID 110664567
ethyl 4,4-dicyano-3-(furan-2-yl)butanoate
CID 11020747
(1S)-1-[(1S)-1-cyano-3-(furan-2-yl)-3-oxopropyl]-2-oxocyclopentane-1-carbonitrile
CID 155935819
furan-2-carboxylic acid;gold
CID 174701575
2-cyano-3-(furan-2-yl)-3-thiophen-2-ylprop-2-enoic acid
CID 71383308
ethane;1-(furan-2-yl)butane-1,3-dione
CID 145463409
2-cyano-5-methyl-4-thiophen-2-ylhexanoic acid
CID 141037350

Frequently Asked Questions

What is the IUPAC name of 2-[3-(furan-2-yl)-3-oxo-1-thiophen-2-ylpropyl]propanedinitrile?
The IUPAC name of 2-[3-(furan-2-yl)-3-oxo-1-thiophen-2-ylpropyl]propanedinitrile (CID 14950540) is 2-[3-(furan-2-yl)-3-oxo-1-thiophen-2-ylpropyl]propanedinitrile.
What is the SMILES notation for 2-[3-(furan-2-yl)-3-oxo-1-thiophen-2-ylpropyl]propanedinitrile?
The canonical SMILES for 2-[3-(furan-2-yl)-3-oxo-1-thiophen-2-ylpropyl]propanedinitrile is N#CC(C#N)C(CC(=O)c1ccco1)c1cccs1.
What is the InChIKey of 2-[3-(furan-2-yl)-3-oxo-1-thiophen-2-ylpropyl]propanedinitrile?
The InChIKey is ZQIRKLCQSSOTNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10N2O2S/c15-8-10(9-16)11(14-4-2-6-19-14)7-12(17)13-3-1-5-18-13/h1-6,10-11H,7H2.
What are the key properties of 2-[3-(furan-2-yl)-3-oxo-1-thiophen-2-ylpropyl]propanedinitrile?
2-[3-(furan-2-yl)-3-oxo-1-thiophen-2-ylpropyl]propanedinitrile has a molecular weight of 270.31 g/mol, XLogP of 3.36, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(furan-2-yl)-3-oxo-1-thiophen-2-ylpropyl]propanedinitrile is sourced from PubChem (CID 14950540), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).