6-(methylamino)-5,6-dihydrocyclopenta[b]pyridin-7-one

C9H10N2O — CID 58717484

IUPAC6-(methylamino)-5,6-dihydrocyclopenta[b]pyridin-7-one
SMILESCNC1Cc2cccnc2C1=O
InChIInChI=1S/C9H10N2O/c1-10-7-5-6-3-2-4-11-8(6)9(7)12/h2-4,7,10H,5H2,1H3
InChIKeyJDXQKABVMRJTDJ-UHFFFAOYSA-N
MW162.19 g/mol
LogP0.41
Rot. Bonds1

About 6-(methylamino)-5,6-dihydrocyclopenta[b]pyridin-7-one

6-(methylamino)-5,6-dihydrocyclopenta[b]pyridin-7-one (PubChem CID 58717484) has the molecular formula C9H10N2O and a molecular weight of 162.19 g/mol. Its IUPAC name is 6-(methylamino)-5,6-dihydrocyclopenta[b]pyridin-7-one.

Molecular Properties

Compound Name6-(methylamino)-5,6-dihydrocyclopenta[b]pyridin-7-one
PubChem CID58717484
Molecular FormulaC9H10N2O
Molecular Weight162.19 g/mol
Exact Mass162.08
IUPAC Name6-(methylamino)-5,6-dihydrocyclopenta[b]pyridin-7-one
SMILESCNC1Cc2cccnc2C1=O
InChIInChI=1S/C9H10N2O/c1-10-7-5-6-3-2-4-11-8(6)9(7)12/h2-4,7,10H,5H2,1H3
InChIKeyJDXQKABVMRJTDJ-UHFFFAOYSA-N
XLogP0.41
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500162.19
LogP ≤ 50.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-(methylamino)-5,6-dihydrocyclopenta[b]pyridin-7-one?
The IUPAC name of 6-(methylamino)-5,6-dihydrocyclopenta[b]pyridin-7-one (CID 58717484) is 6-(methylamino)-5,6-dihydrocyclopenta[b]pyridin-7-one.
What is the SMILES notation for 6-(methylamino)-5,6-dihydrocyclopenta[b]pyridin-7-one?
The canonical SMILES for 6-(methylamino)-5,6-dihydrocyclopenta[b]pyridin-7-one is CNC1Cc2cccnc2C1=O.
What is the InChIKey of 6-(methylamino)-5,6-dihydrocyclopenta[b]pyridin-7-one?
The InChIKey is JDXQKABVMRJTDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10N2O/c1-10-7-5-6-3-2-4-11-8(6)9(7)12/h2-4,7,10H,5H2,1H3.
What are the key properties of 6-(methylamino)-5,6-dihydrocyclopenta[b]pyridin-7-one?
6-(methylamino)-5,6-dihydrocyclopenta[b]pyridin-7-one has a molecular weight of 162.19 g/mol, XLogP of 0.41, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(methylamino)-5,6-dihydrocyclopenta[b]pyridin-7-one is sourced from PubChem (CID 58717484), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).