4-hydroxy-1-(4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)butan-1-one

C12H17NO2S — CID 79192931

IUPAC4-hydroxy-1-(4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)butan-1-one
SMILESCC1c2ccsc2CCN1C(=O)CCCO
InChIInChI=1S/C12H17NO2S/c1-9-10-5-8-16-11(10)4-6-13(9)12(15)3-2-7-14/h5,8-9,14H,2-4,6-7H2,1H3
InChIKeyZQVHQCZCAWRLSI-UHFFFAOYSA-N
MW239.34 g/mol
LogP1.97
Rot. Bonds3

About 4-hydroxy-1-(4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)butan-1-one

4-hydroxy-1-(4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)butan-1-one (PubChem CID 79192931) has the molecular formula C12H17NO2S and a molecular weight of 239.34 g/mol. Its IUPAC name is 4-hydroxy-1-(4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)butan-1-one.

Molecular Properties

Compound Name4-hydroxy-1-(4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)butan-1-one
PubChem CID79192931
Molecular FormulaC12H17NO2S
Molecular Weight239.34 g/mol
Exact Mass239.10
IUPAC Name4-hydroxy-1-(4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)butan-1-one
SMILESCC1c2ccsc2CCN1C(=O)CCCO
InChIInChI=1S/C12H17NO2S/c1-9-10-5-8-16-11(10)4-6-13(9)12(15)3-2-7-14/h5,8-9,14H,2-4,6-7H2,1H3
InChIKeyZQVHQCZCAWRLSI-UHFFFAOYSA-N
XLogP1.97
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.34
LogP ≤ 51.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-hydroxy-1-(4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)butan-1-one?
The IUPAC name of 4-hydroxy-1-(4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)butan-1-one (CID 79192931) is 4-hydroxy-1-(4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)butan-1-one.
What is the SMILES notation for 4-hydroxy-1-(4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)butan-1-one?
The canonical SMILES for 4-hydroxy-1-(4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)butan-1-one is CC1c2ccsc2CCN1C(=O)CCCO.
What is the InChIKey of 4-hydroxy-1-(4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)butan-1-one?
The InChIKey is ZQVHQCZCAWRLSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17NO2S/c1-9-10-5-8-16-11(10)4-6-13(9)12(15)3-2-7-14/h5,8-9,14H,2-4,6-7H2,1H3.
What are the key properties of 4-hydroxy-1-(4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)butan-1-one?
4-hydroxy-1-(4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)butan-1-one has a molecular weight of 239.34 g/mol, XLogP of 1.97, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxy-1-(4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)butan-1-one is sourced from PubChem (CID 79192931), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).