4-(furan-2-yl)-2-oxo-1,5,6,7-tetrahydrocyclopenta[b]pyridine-3-carbonitrile

C13H10N2O2 — CID 82080953

IUPAC4-(furan-2-yl)-2-oxo-1,5,6,7-tetrahydrocyclopenta[b]pyridine-3-carbonitrile
SMILESN#Cc1c(-c2ccco2)c2c([nH]c1=O)CCC2
InChIInChI=1S/C13H10N2O2/c14-7-9-12(11-5-2-6-17-11)8-3-1-4-10(8)15-13(9)16/h2,5-6H,1,3-4H2,(H,15,16)
InChIKeyRYHVFMWJYOABRY-UHFFFAOYSA-N
MW226.24 g/mol
LogP2.00
Rot. Bonds1

About 4-(furan-2-yl)-2-oxo-1,5,6,7-tetrahydrocyclopenta[b]pyridine-3-carbonitrile

4-(furan-2-yl)-2-oxo-1,5,6,7-tetrahydrocyclopenta[b]pyridine-3-carbonitrile (PubChem CID 82080953) has the molecular formula C13H10N2O2 and a molecular weight of 226.24 g/mol. Its IUPAC name is 4-(furan-2-yl)-2-oxo-1,5,6,7-tetrahydrocyclopenta[b]pyridine-3-carbonitrile.

Molecular Properties

Compound Name4-(furan-2-yl)-2-oxo-1,5,6,7-tetrahydrocyclopenta[b]pyridine-3-carbonitrile
PubChem CID82080953
Molecular FormulaC13H10N2O2
Molecular Weight226.24 g/mol
Exact Mass226.07
IUPAC Name4-(furan-2-yl)-2-oxo-1,5,6,7-tetrahydrocyclopenta[b]pyridine-3-carbonitrile
SMILESN#Cc1c(-c2ccco2)c2c([nH]c1=O)CCC2
InChIInChI=1S/C13H10N2O2/c14-7-9-12(11-5-2-6-17-11)8-3-1-4-10(8)15-13(9)16/h2,5-6H,1,3-4H2,(H,15,16)
InChIKeyRYHVFMWJYOABRY-UHFFFAOYSA-N
XLogP2.00
TPSA69.79 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.24
LogP ≤ 52.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-(4-methylphenyl)-2-oxo-1,5,6,7-tetrahydrocyclopenta[b]pyridine-3-carbonitrile
CID 82087393
4-(furan-2-yl)-2-oxo-1,5-dihydrochromeno[4,3-b]pyridine-3-carbonitrile
CID 2816448
3,4-bis(furan-2-yl)-6-oxo-1H-pyridazine-5-carbonitrile
CID 10106289
2-amino-4-[3-(furan-2-yl)phenyl]-6-oxo-1H-pyridine-3,5-dicarbonitrile
CID 169393411
2-chloro-4-(furan-2-yl)-5,6,7,8-tetrahydroquinoline-3-carbonitrile
CID 82089655
4-(furan-2-yl)-5-methanimidoyl-2-oxo-6-sulfanyl-1H-pyridine-3-carbonitrile
CID 137161096
2-amino-4-(furan-2-yl)-6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridine-3-carbonitrile
CID 754321
4-(3-fluoro-4-pyridinyl)-2-oxo-1,5,6,7,8,9-hexahydrocyclohepta[b]pyridine-3-carbonitrile
CID 122525939
1-(furan-2-yl)-3-sulfanylidene-5,6,7,8,9,10,11,12-octahydro-2H-cyclodeca[c]pyridine-4-carbonitrile
CID 15665198
2-(azepan-1-yl)-4-(furan-2-yl)-6-oxo-1H-pyrimidine-5-carbonitrile
CID 136694321
6-(furan-2-yl)-5-iodo-4-(4-methoxyphenyl)-2-oxo-1H-pyridine-3-carbonitrile
CID 139755848
(8S)-2-amino-4-(furan-2-yl)-8-methyl-5,6,7,8-tetrahydroquinolin-1-ium-3-carbonitrile
CID 6951885

Frequently Asked Questions

What is the IUPAC name of 4-(furan-2-yl)-2-oxo-1,5,6,7-tetrahydrocyclopenta[b]pyridine-3-carbonitrile?
The IUPAC name of 4-(furan-2-yl)-2-oxo-1,5,6,7-tetrahydrocyclopenta[b]pyridine-3-carbonitrile (CID 82080953) is 4-(furan-2-yl)-2-oxo-1,5,6,7-tetrahydrocyclopenta[b]pyridine-3-carbonitrile.
What is the SMILES notation for 4-(furan-2-yl)-2-oxo-1,5,6,7-tetrahydrocyclopenta[b]pyridine-3-carbonitrile?
The canonical SMILES for 4-(furan-2-yl)-2-oxo-1,5,6,7-tetrahydrocyclopenta[b]pyridine-3-carbonitrile is N#Cc1c(-c2ccco2)c2c([nH]c1=O)CCC2.
What is the InChIKey of 4-(furan-2-yl)-2-oxo-1,5,6,7-tetrahydrocyclopenta[b]pyridine-3-carbonitrile?
The InChIKey is RYHVFMWJYOABRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10N2O2/c14-7-9-12(11-5-2-6-17-11)8-3-1-4-10(8)15-13(9)16/h2,5-6H,1,3-4H2,(H,15,16).
What are the key properties of 4-(furan-2-yl)-2-oxo-1,5,6,7-tetrahydrocyclopenta[b]pyridine-3-carbonitrile?
4-(furan-2-yl)-2-oxo-1,5,6,7-tetrahydrocyclopenta[b]pyridine-3-carbonitrile has a molecular weight of 226.24 g/mol, XLogP of 2.00, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(furan-2-yl)-2-oxo-1,5,6,7-tetrahydrocyclopenta[b]pyridine-3-carbonitrile is sourced from PubChem (CID 82080953), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).