6-propan-2-yl-4,5-dihydrothieno[2,3-c]pyridin-7-one

C10H13NOS — CID 130067236

IUPAC6-propan-2-yl-4,5-dihydrothieno[2,3-c]pyridin-7-one
SMILESCC(C)N1CCc2ccsc2C1=O
InChIInChI=1S/C10H13NOS/c1-7(2)11-5-3-8-4-6-13-9(8)10(11)12/h4,6-7H,3,5H2,1-2H3
InChIKeySJFOYYUZNUEBCY-UHFFFAOYSA-N
MW195.29 g/mol
LogP2.15
Rot. Bonds1

About 6-propan-2-yl-4,5-dihydrothieno[2,3-c]pyridin-7-one

6-propan-2-yl-4,5-dihydrothieno[2,3-c]pyridin-7-one (PubChem CID 130067236) has the molecular formula C10H13NOS and a molecular weight of 195.29 g/mol. Its IUPAC name is 6-propan-2-yl-4,5-dihydrothieno[2,3-c]pyridin-7-one.

Molecular Properties

Compound Name6-propan-2-yl-4,5-dihydrothieno[2,3-c]pyridin-7-one
PubChem CID130067236
Molecular FormulaC10H13NOS
Molecular Weight195.29 g/mol
Exact Mass195.07
IUPAC Name6-propan-2-yl-4,5-dihydrothieno[2,3-c]pyridin-7-one
SMILESCC(C)N1CCc2ccsc2C1=O
InChIInChI=1S/C10H13NOS/c1-7(2)11-5-3-8-4-6-13-9(8)10(11)12/h4,6-7H,3,5H2,1-2H3
InChIKeySJFOYYUZNUEBCY-UHFFFAOYSA-N
XLogP2.15
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.29
LogP ≤ 52.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

7-hydroxy-2-propan-2-yl-3,4-dihydroisoquinolin-1-one
CID 84673185
6-(2-chlorophenyl)-4,5-dihydrothieno[2,3-c]pyridin-7-one
CID 118212054
6-propan-2-yl-4,5-dihydro-3H-pyrrolo[2,3-c]pyridin-7-one
CID 167552131
7-(1,5-dimethyl-2,4-dioxa-3-borabicyclo[3.1.0]hexan-3-yl)-2-propan-2-yl-3,4-dihydroisoquinolin-1-one
CID 145368772
8-(methylamino)-6-(2-methylpropyl)-5,8-dihydro-4H-thieno[2,3-d]azepin-7-one
CID 23554901
butane;6-methyl-5,7-dihydro-4H-thieno[2,3-c]pyridine
CID 167664571
6-propan-2-yl-4H-thieno[2,3-b]pyrrol-5-one
CID 157477881
7-methoxy-4H-thieno[2,3-c]azepin-8-one
CID 125495743
1-propan-2-yl-3,5-dihydro-2H-indol-5-ide;yttrium
CID 170523083
3-ethyl-1-propan-2-yl-1,3-diazinane-2,4-dione
CID 60644815
1,3-di(propan-2-yl)-1,3-diazinane-2,4-dione
CID 60644562
5-propan-2-yl-6,7-dihydro-[1,3]oxazolo[4,5-c]pyridin-4-one
CID 171846686

Frequently Asked Questions

What is the IUPAC name of 6-propan-2-yl-4,5-dihydrothieno[2,3-c]pyridin-7-one?
The IUPAC name of 6-propan-2-yl-4,5-dihydrothieno[2,3-c]pyridin-7-one (CID 130067236) is 6-propan-2-yl-4,5-dihydrothieno[2,3-c]pyridin-7-one.
What is the SMILES notation for 6-propan-2-yl-4,5-dihydrothieno[2,3-c]pyridin-7-one?
The canonical SMILES for 6-propan-2-yl-4,5-dihydrothieno[2,3-c]pyridin-7-one is CC(C)N1CCc2ccsc2C1=O.
What is the InChIKey of 6-propan-2-yl-4,5-dihydrothieno[2,3-c]pyridin-7-one?
The InChIKey is SJFOYYUZNUEBCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13NOS/c1-7(2)11-5-3-8-4-6-13-9(8)10(11)12/h4,6-7H,3,5H2,1-2H3.
What are the key properties of 6-propan-2-yl-4,5-dihydrothieno[2,3-c]pyridin-7-one?
6-propan-2-yl-4,5-dihydrothieno[2,3-c]pyridin-7-one has a molecular weight of 195.29 g/mol, XLogP of 2.15, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-propan-2-yl-4,5-dihydrothieno[2,3-c]pyridin-7-one is sourced from PubChem (CID 130067236), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).