1-methyl-3-(sulfanylmethyl)-6,7-dihydro-5H-cyclopenta[b]pyridin-2-one

C10H13NOS — CID 82523341

IUPAC1-methyl-3-(sulfanylmethyl)-6,7-dihydro-5H-cyclopenta[b]pyridin-2-one
SMILESCn1c2c(cc(CS)c1=O)CCC2
InChIInChI=1S/C10H13NOS/c1-11-9-4-2-3-7(9)5-8(6-13)10(11)12/h5,13H,2-4,6H2,1H3
InChIKeyUIOWZJAZQUXSCC-UHFFFAOYSA-N
MW195.29 g/mol
LogP1.30
Rot. Bonds1

About 1-methyl-3-(sulfanylmethyl)-6,7-dihydro-5H-cyclopenta[b]pyridin-2-one

1-methyl-3-(sulfanylmethyl)-6,7-dihydro-5H-cyclopenta[b]pyridin-2-one (PubChem CID 82523341) has the molecular formula C10H13NOS and a molecular weight of 195.29 g/mol. Its IUPAC name is 1-methyl-3-(sulfanylmethyl)-6,7-dihydro-5H-cyclopenta[b]pyridin-2-one.

Molecular Properties

Compound Name1-methyl-3-(sulfanylmethyl)-6,7-dihydro-5H-cyclopenta[b]pyridin-2-one
PubChem CID82523341
Molecular FormulaC10H13NOS
Molecular Weight195.29 g/mol
Exact Mass195.07
IUPAC Name1-methyl-3-(sulfanylmethyl)-6,7-dihydro-5H-cyclopenta[b]pyridin-2-one
SMILESCn1c2c(cc(CS)c1=O)CCC2
InChIInChI=1S/C10H13NOS/c1-11-9-4-2-3-7(9)5-8(6-13)10(11)12/h5,13H,2-4,6H2,1H3
InChIKeyUIOWZJAZQUXSCC-UHFFFAOYSA-N
XLogP1.30
TPSA22.00 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.29
LogP ≤ 51.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thiol_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-3-(sulfanylmethyl)-6,7-dihydro-5H-cyclopenta[b]pyridin-2-one?
The IUPAC name of 1-methyl-3-(sulfanylmethyl)-6,7-dihydro-5H-cyclopenta[b]pyridin-2-one (CID 82523341) is 1-methyl-3-(sulfanylmethyl)-6,7-dihydro-5H-cyclopenta[b]pyridin-2-one.
What is the SMILES notation for 1-methyl-3-(sulfanylmethyl)-6,7-dihydro-5H-cyclopenta[b]pyridin-2-one?
The canonical SMILES for 1-methyl-3-(sulfanylmethyl)-6,7-dihydro-5H-cyclopenta[b]pyridin-2-one is Cn1c2c(cc(CS)c1=O)CCC2.
What is the InChIKey of 1-methyl-3-(sulfanylmethyl)-6,7-dihydro-5H-cyclopenta[b]pyridin-2-one?
The InChIKey is UIOWZJAZQUXSCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13NOS/c1-11-9-4-2-3-7(9)5-8(6-13)10(11)12/h5,13H,2-4,6H2,1H3.
What are the key properties of 1-methyl-3-(sulfanylmethyl)-6,7-dihydro-5H-cyclopenta[b]pyridin-2-one?
1-methyl-3-(sulfanylmethyl)-6,7-dihydro-5H-cyclopenta[b]pyridin-2-one has a molecular weight of 195.29 g/mol, XLogP of 1.30, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-3-(sulfanylmethyl)-6,7-dihydro-5H-cyclopenta[b]pyridin-2-one is sourced from PubChem (CID 82523341), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).