2-(6-methyl-7-oxo-5H-cyclopenta[c]pyridin-6-yl)acetonitrile

C11H10N2O — CID 59252736

IUPAC2-(6-methyl-7-oxo-5H-cyclopenta[c]pyridin-6-yl)acetonitrile
SMILESCC1(CC#N)Cc2ccncc2C1=O
InChIInChI=1S/C11H10N2O/c1-11(3-4-12)6-8-2-5-13-7-9(8)10(11)14/h2,5,7H,3,6H2,1H3
InChIKeyASGLNTBFNFSOAE-UHFFFAOYSA-N
MW186.21 g/mol
LogP1.74
Rot. Bonds1

About 2-(6-methyl-7-oxo-5H-cyclopenta[c]pyridin-6-yl)acetonitrile

2-(6-methyl-7-oxo-5H-cyclopenta[c]pyridin-6-yl)acetonitrile (PubChem CID 59252736) has the molecular formula C11H10N2O and a molecular weight of 186.21 g/mol. Its IUPAC name is 2-(6-methyl-7-oxo-5H-cyclopenta[c]pyridin-6-yl)acetonitrile.

Molecular Properties

Compound Name2-(6-methyl-7-oxo-5H-cyclopenta[c]pyridin-6-yl)acetonitrile
PubChem CID59252736
Molecular FormulaC11H10N2O
Molecular Weight186.21 g/mol
Exact Mass186.08
IUPAC Name2-(6-methyl-7-oxo-5H-cyclopenta[c]pyridin-6-yl)acetonitrile
SMILESCC1(CC#N)Cc2ccncc2C1=O
InChIInChI=1S/C11H10N2O/c1-11(3-4-12)6-8-2-5-13-7-9(8)10(11)14/h2,5,7H,3,6H2,1H3
InChIKeyASGLNTBFNFSOAE-UHFFFAOYSA-N
XLogP1.74
TPSA53.75 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.21
LogP ≤ 51.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(6-methyl-7-oxo-5H-cyclopenta[c]pyridin-6-yl)acetonitrile?
The IUPAC name of 2-(6-methyl-7-oxo-5H-cyclopenta[c]pyridin-6-yl)acetonitrile (CID 59252736) is 2-(6-methyl-7-oxo-5H-cyclopenta[c]pyridin-6-yl)acetonitrile.
What is the SMILES notation for 2-(6-methyl-7-oxo-5H-cyclopenta[c]pyridin-6-yl)acetonitrile?
The canonical SMILES for 2-(6-methyl-7-oxo-5H-cyclopenta[c]pyridin-6-yl)acetonitrile is CC1(CC#N)Cc2ccncc2C1=O.
What is the InChIKey of 2-(6-methyl-7-oxo-5H-cyclopenta[c]pyridin-6-yl)acetonitrile?
The InChIKey is ASGLNTBFNFSOAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10N2O/c1-11(3-4-12)6-8-2-5-13-7-9(8)10(11)14/h2,5,7H,3,6H2,1H3.
What are the key properties of 2-(6-methyl-7-oxo-5H-cyclopenta[c]pyridin-6-yl)acetonitrile?
2-(6-methyl-7-oxo-5H-cyclopenta[c]pyridin-6-yl)acetonitrile has a molecular weight of 186.21 g/mol, XLogP of 1.74, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6-methyl-7-oxo-5H-cyclopenta[c]pyridin-6-yl)acetonitrile is sourced from PubChem (CID 59252736), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).