1-methyl-2-oxo-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carbonitrile

C10H10N2O — CID 15256416

IUPAC1-methyl-2-oxo-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carbonitrile
SMILESCn1c2c(cc(C#N)c1=O)CCC2
InChIInChI=1S/C10H10N2O/c1-12-9-4-2-3-7(9)5-8(6-11)10(12)13/h5H,2-4H2,1H3
InChIKeySWMCYHMTUPNKSA-UHFFFAOYSA-N
MW174.20 g/mol
LogP0.75
Rot. Bonds

About 1-methyl-2-oxo-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carbonitrile

1-methyl-2-oxo-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carbonitrile (PubChem CID 15256416) has the molecular formula C10H10N2O and a molecular weight of 174.20 g/mol. Its IUPAC name is 1-methyl-2-oxo-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carbonitrile.

Molecular Properties

Compound Name1-methyl-2-oxo-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carbonitrile
PubChem CID15256416
Molecular FormulaC10H10N2O
Molecular Weight174.20 g/mol
Exact Mass174.08
IUPAC Name1-methyl-2-oxo-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carbonitrile
SMILESCn1c2c(cc(C#N)c1=O)CCC2
InChIInChI=1S/C10H10N2O/c1-12-9-4-2-3-7(9)5-8(6-11)10(12)13/h5H,2-4H2,1H3
InChIKeySWMCYHMTUPNKSA-UHFFFAOYSA-N
XLogP0.75
TPSA45.79 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.20
LogP ≤ 50.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-2-oxo-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carbonitrile?
The IUPAC name of 1-methyl-2-oxo-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carbonitrile (CID 15256416) is 1-methyl-2-oxo-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carbonitrile.
What is the SMILES notation for 1-methyl-2-oxo-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carbonitrile?
The canonical SMILES for 1-methyl-2-oxo-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carbonitrile is Cn1c2c(cc(C#N)c1=O)CCC2.
What is the InChIKey of 1-methyl-2-oxo-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carbonitrile?
The InChIKey is SWMCYHMTUPNKSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10N2O/c1-12-9-4-2-3-7(9)5-8(6-11)10(12)13/h5H,2-4H2,1H3.
What are the key properties of 1-methyl-2-oxo-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carbonitrile?
1-methyl-2-oxo-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carbonitrile has a molecular weight of 174.20 g/mol, XLogP of 0.75, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-2-oxo-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carbonitrile is sourced from PubChem (CID 15256416), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).