1-propyl-3-(2-sulfanylidene-3H-1,3,4-oxadiazol-5-yl)-6,7-dihydro-5H-cyclopenta[b]pyridin-2-one

C13H15N3O2S — CID 82523132

IUPAC1-propyl-3-(2-sulfanylidene-3H-1,3,4-oxadiazol-5-yl)-6,7-dihydro-5H-cyclopenta[b]pyridin-2-one
SMILESCCCn1c2c(cc(-c3n[nH]c(=S)o3)c1=O)CCC2
InChIInChI=1S/C13H15N3O2S/c1-2-6-16-10-5-3-4-8(10)7-9(12(16)17)11-14-15-13(19)18-11/h7H,2-6H2,1H3,(H,15,19)
InChIKeyCUKWPYVUHSATOM-UHFFFAOYSA-N
MW277.35 g/mol
LogP2.46
Rot. Bonds3

About 1-propyl-3-(2-sulfanylidene-3H-1,3,4-oxadiazol-5-yl)-6,7-dihydro-5H-cyclopenta[b]pyridin-2-one

1-propyl-3-(2-sulfanylidene-3H-1,3,4-oxadiazol-5-yl)-6,7-dihydro-5H-cyclopenta[b]pyridin-2-one (PubChem CID 82523132) has the molecular formula C13H15N3O2S and a molecular weight of 277.35 g/mol. Its IUPAC name is 1-propyl-3-(2-sulfanylidene-3H-1,3,4-oxadiazol-5-yl)-6,7-dihydro-5H-cyclopenta[b]pyridin-2-one.

Molecular Properties

Compound Name1-propyl-3-(2-sulfanylidene-3H-1,3,4-oxadiazol-5-yl)-6,7-dihydro-5H-cyclopenta[b]pyridin-2-one
PubChem CID82523132
Molecular FormulaC13H15N3O2S
Molecular Weight277.35 g/mol
Exact Mass277.09
IUPAC Name1-propyl-3-(2-sulfanylidene-3H-1,3,4-oxadiazol-5-yl)-6,7-dihydro-5H-cyclopenta[b]pyridin-2-one
SMILESCCCn1c2c(cc(-c3n[nH]c(=S)o3)c1=O)CCC2
InChIInChI=1S/C13H15N3O2S/c1-2-6-16-10-5-3-4-8(10)7-9(12(16)17)11-14-15-13(19)18-11/h7H,2-6H2,1H3,(H,15,19)
InChIKeyCUKWPYVUHSATOM-UHFFFAOYSA-N
XLogP2.46
TPSA63.82 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.35
LogP ≤ 52.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

6-propan-2-yl-2-propyl-4-(2-sulfanylidene-3H-1,3,4-oxadiazol-5-yl)pyridazin-3-one
CID 82443294
1-methyl-3-(4-propyl-5-sulfanylidene-1H-1,2,4-triazol-3-yl)-5,6,7,8-tetrahydroquinolin-2-one
CID 82522622
1-ethyl-3-(5-sulfanylidene-1,2-dihydro-1,2,4-triazol-3-yl)-6,7-dihydro-5H-cyclopenta[b]pyridin-2-one
CID 82523253
1-ethyl-3-(4-propan-2-yl-5-sulfanylidene-1H-1,2,4-triazol-3-yl)-6,7-dihydro-5H-cyclopenta[b]pyridin-2-one
CID 82523250
2-butyl-6-tert-butyl-4-(2-sulfanylidene-3H-1,3,4-oxadiazol-5-yl)pyridazin-3-one
CID 82443714
3-(chloromethyl)-1-propyl-5,6,7,8-tetrahydroquinolin-2-one
CID 82522536
3-acetyl-1-propyl-5,6,7,8-tetrahydroquinolin-2-one
CID 82522519
2-phenyl-1-propyl-5,6-dihydro-4H-cyclopenta[b]pyrrole
CID 10998697
3-[4-(2-methoxyethyl)-5-sulfanylidene-1H-1,2,4-triazol-3-yl]-1-methyl-6,7-dihydro-5H-cyclopenta[b]pyridin-2-one
CID 82523315
6-methyl-1-(oxolan-2-ylmethyl)-3-(2-sulfanylidene-3H-1,3,4-oxadiazol-5-yl)pyridin-2-one
CID 82524678
5-(6-ethyl-2-methyl-7,8-dihydro-5H-1,6-naphthyridin-3-yl)-3H-1,3,4-oxadiazole-2-thione
CID 82452409
1-cyclopropyl-3-(4-methyl-5-sulfanylidene-1H-1,2,4-triazol-3-yl)-5,6,7,8-tetrahydroquinolin-2-one
CID 82522440

Frequently Asked Questions

What is the IUPAC name of 1-propyl-3-(2-sulfanylidene-3H-1,3,4-oxadiazol-5-yl)-6,7-dihydro-5H-cyclopenta[b]pyridin-2-one?
The IUPAC name of 1-propyl-3-(2-sulfanylidene-3H-1,3,4-oxadiazol-5-yl)-6,7-dihydro-5H-cyclopenta[b]pyridin-2-one (CID 82523132) is 1-propyl-3-(2-sulfanylidene-3H-1,3,4-oxadiazol-5-yl)-6,7-dihydro-5H-cyclopenta[b]pyridin-2-one.
What is the SMILES notation for 1-propyl-3-(2-sulfanylidene-3H-1,3,4-oxadiazol-5-yl)-6,7-dihydro-5H-cyclopenta[b]pyridin-2-one?
The canonical SMILES for 1-propyl-3-(2-sulfanylidene-3H-1,3,4-oxadiazol-5-yl)-6,7-dihydro-5H-cyclopenta[b]pyridin-2-one is CCCn1c2c(cc(-c3n[nH]c(=S)o3)c1=O)CCC2.
What is the InChIKey of 1-propyl-3-(2-sulfanylidene-3H-1,3,4-oxadiazol-5-yl)-6,7-dihydro-5H-cyclopenta[b]pyridin-2-one?
The InChIKey is CUKWPYVUHSATOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N3O2S/c1-2-6-16-10-5-3-4-8(10)7-9(12(16)17)11-14-15-13(19)18-11/h7H,2-6H2,1H3,(H,15,19).
What are the key properties of 1-propyl-3-(2-sulfanylidene-3H-1,3,4-oxadiazol-5-yl)-6,7-dihydro-5H-cyclopenta[b]pyridin-2-one?
1-propyl-3-(2-sulfanylidene-3H-1,3,4-oxadiazol-5-yl)-6,7-dihydro-5H-cyclopenta[b]pyridin-2-one has a molecular weight of 277.35 g/mol, XLogP of 2.46, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-propyl-3-(2-sulfanylidene-3H-1,3,4-oxadiazol-5-yl)-6,7-dihydro-5H-cyclopenta[b]pyridin-2-one is sourced from PubChem (CID 82523132), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).