5-(3-oxobutyl)-6,7-dihydrothieno[3,2-c]pyridin-4-one

C11H13NO2S — CID 130542787

IUPAC5-(3-oxobutyl)-6,7-dihydrothieno[3,2-c]pyridin-4-one
SMILESCC(=O)CCN1CCc2sccc2C1=O
InChIInChI=1S/C11H13NO2S/c1-8(13)2-5-12-6-3-10-9(11(12)14)4-7-15-10/h4,7H,2-3,5-6H2,1H3
InChIKeyNUSOVIWOVLRQFE-UHFFFAOYSA-N
MW223.30 g/mol
LogP1.73
Rot. Bonds3

About 5-(3-oxobutyl)-6,7-dihydrothieno[3,2-c]pyridin-4-one

5-(3-oxobutyl)-6,7-dihydrothieno[3,2-c]pyridin-4-one (PubChem CID 130542787) has the molecular formula C11H13NO2S and a molecular weight of 223.30 g/mol. Its IUPAC name is 5-(3-oxobutyl)-6,7-dihydrothieno[3,2-c]pyridin-4-one.

Molecular Properties

Compound Name5-(3-oxobutyl)-6,7-dihydrothieno[3,2-c]pyridin-4-one
PubChem CID130542787
Molecular FormulaC11H13NO2S
Molecular Weight223.30 g/mol
Exact Mass223.07
IUPAC Name5-(3-oxobutyl)-6,7-dihydrothieno[3,2-c]pyridin-4-one
SMILESCC(=O)CCN1CCc2sccc2C1=O
InChIInChI=1S/C11H13NO2S/c1-8(13)2-5-12-6-3-10-9(11(12)14)4-7-15-10/h4,7H,2-3,5-6H2,1H3
InChIKeyNUSOVIWOVLRQFE-UHFFFAOYSA-N
XLogP1.73
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.30
LogP ≤ 51.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

5-(2-methylprop-2-enyl)-6,7-dihydrothieno[3,2-c]pyridin-4-one
CID 130542809
2-(4-oxo-7,8-dihydro-6H-thieno[3,2-c]azepin-5-yl)acetic acid
CID 50990565
but-2-enedioic acid;5-[4-(4-pyrimidin-2-ylpiperazin-1-yl)butyl]-7,8-dihydro-6H-thieno[3,2-c]azepin-4-one
CID 67755556
3-(7-iodo-1-oxo-3,4-dihydroisoquinolin-2-yl)propanoic acid
CID 79788391
1-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-2-(4-methylpiperazin-1-yl)ethanone
CID 25116648
3-oxo-2-(4-oxo-6,7-dihydro-5H-1-benzothiophen-5-yl)butanoic acid
CID 90737522
2-(3-oxobutyl)-4H-isoquinoline-1,3-dione
CID 55211630
1-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-4-[4-(2-methylsulfonylethyl)piperazin-1-yl]butane-1,4-dione
CID 56533768
2-nonyl-3,4-dihydroisoquinolin-1-one
CID 104501189
5-(3-ethyl-1-methylpyrazole-4-carbonyl)-6,7-dihydro-5H-1-benzothiophen-4-one
CID 102810691
6-methyl-7,8-dihydro-4H-thieno[2,3-d]azepin-5-one
CID 54173066
2-amino-1-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-2-ethylbutan-1-one
CID 79809401

Frequently Asked Questions

What is the IUPAC name of 5-(3-oxobutyl)-6,7-dihydrothieno[3,2-c]pyridin-4-one?
The IUPAC name of 5-(3-oxobutyl)-6,7-dihydrothieno[3,2-c]pyridin-4-one (CID 130542787) is 5-(3-oxobutyl)-6,7-dihydrothieno[3,2-c]pyridin-4-one.
What is the SMILES notation for 5-(3-oxobutyl)-6,7-dihydrothieno[3,2-c]pyridin-4-one?
The canonical SMILES for 5-(3-oxobutyl)-6,7-dihydrothieno[3,2-c]pyridin-4-one is CC(=O)CCN1CCc2sccc2C1=O.
What is the InChIKey of 5-(3-oxobutyl)-6,7-dihydrothieno[3,2-c]pyridin-4-one?
The InChIKey is NUSOVIWOVLRQFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13NO2S/c1-8(13)2-5-12-6-3-10-9(11(12)14)4-7-15-10/h4,7H,2-3,5-6H2,1H3.
What are the key properties of 5-(3-oxobutyl)-6,7-dihydrothieno[3,2-c]pyridin-4-one?
5-(3-oxobutyl)-6,7-dihydrothieno[3,2-c]pyridin-4-one has a molecular weight of 223.30 g/mol, XLogP of 1.73, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-oxobutyl)-6,7-dihydrothieno[3,2-c]pyridin-4-one is sourced from PubChem (CID 130542787), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).