2-oxo-1,5,6,7-tetrahydrocyclopenta[b]pyridine-3-carbonitrile

C9H8N2O — CID 907352

IUPAC2-oxo-1,5,6,7-tetrahydrocyclopenta[b]pyridine-3-carbonitrile
SMILESN#Cc1cc2c([nH]c1=O)CCC2
InChIInChI=1S/C9H8N2O/c10-5-7-4-6-2-1-3-8(6)11-9(7)12/h4H,1-3H2,(H,11,12)
InChIKeyCNZRRQHIZFDOSX-UHFFFAOYSA-N
MW160.18 g/mol
LogP0.74
Rot. Bonds

About 2-oxo-1,5,6,7-tetrahydrocyclopenta[b]pyridine-3-carbonitrile

2-oxo-1,5,6,7-tetrahydrocyclopenta[b]pyridine-3-carbonitrile (PubChem CID 907352) has the molecular formula C9H8N2O and a molecular weight of 160.18 g/mol. Its IUPAC name is 2-oxo-1,5,6,7-tetrahydrocyclopenta[b]pyridine-3-carbonitrile.

Molecular Properties

Compound Name2-oxo-1,5,6,7-tetrahydrocyclopenta[b]pyridine-3-carbonitrile
PubChem CID907352
Molecular FormulaC9H8N2O
Molecular Weight160.18 g/mol
Exact Mass160.06
IUPAC Name2-oxo-1,5,6,7-tetrahydrocyclopenta[b]pyridine-3-carbonitrile
SMILESN#Cc1cc2c([nH]c1=O)CCC2
InChIInChI=1S/C9H8N2O/c10-5-7-4-6-2-1-3-8(6)11-9(7)12/h4H,1-3H2,(H,11,12)
InChIKeyCNZRRQHIZFDOSX-UHFFFAOYSA-N
XLogP0.74
TPSA56.65 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500160.18
LogP ≤ 50.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-oxo-1,5,6,7-tetrahydrocyclopenta[b]pyridine-3-carbonitrile?
The IUPAC name of 2-oxo-1,5,6,7-tetrahydrocyclopenta[b]pyridine-3-carbonitrile (CID 907352) is 2-oxo-1,5,6,7-tetrahydrocyclopenta[b]pyridine-3-carbonitrile.
What is the SMILES notation for 2-oxo-1,5,6,7-tetrahydrocyclopenta[b]pyridine-3-carbonitrile?
The canonical SMILES for 2-oxo-1,5,6,7-tetrahydrocyclopenta[b]pyridine-3-carbonitrile is N#Cc1cc2c([nH]c1=O)CCC2.
What is the InChIKey of 2-oxo-1,5,6,7-tetrahydrocyclopenta[b]pyridine-3-carbonitrile?
The InChIKey is CNZRRQHIZFDOSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8N2O/c10-5-7-4-6-2-1-3-8(6)11-9(7)12/h4H,1-3H2,(H,11,12).
What are the key properties of 2-oxo-1,5,6,7-tetrahydrocyclopenta[b]pyridine-3-carbonitrile?
2-oxo-1,5,6,7-tetrahydrocyclopenta[b]pyridine-3-carbonitrile has a molecular weight of 160.18 g/mol, XLogP of 0.74, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-oxo-1,5,6,7-tetrahydrocyclopenta[b]pyridine-3-carbonitrile is sourced from PubChem (CID 907352), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).