5-cyclopropyl-4H-thieno[3,2-b]pyridin-7-one

C10H9NOS — CID 66350432

IUPAC5-cyclopropyl-4H-thieno[3,2-b]pyridin-7-one
SMILESO=c1cc(C2CC2)[nH]c2ccsc12
InChIInChI=1S/C10H9NOS/c12-9-5-8(6-1-2-6)11-7-3-4-13-10(7)9/h3-6H,1-2H2,(H,11,12)
InChIKeyQYAFYOJVVCAVLT-UHFFFAOYSA-N
MW191.25 g/mol
LogP2.47
Rot. Bonds1

About 5-cyclopropyl-4H-thieno[3,2-b]pyridin-7-one

5-cyclopropyl-4H-thieno[3,2-b]pyridin-7-one (PubChem CID 66350432) has the molecular formula C10H9NOS and a molecular weight of 191.25 g/mol. Its IUPAC name is 5-cyclopropyl-4H-thieno[3,2-b]pyridin-7-one.

Molecular Properties

Compound Name5-cyclopropyl-4H-thieno[3,2-b]pyridin-7-one
PubChem CID66350432
Molecular FormulaC10H9NOS
Molecular Weight191.25 g/mol
Exact Mass191.04
IUPAC Name5-cyclopropyl-4H-thieno[3,2-b]pyridin-7-one
SMILESO=c1cc(C2CC2)[nH]c2ccsc12
InChIInChI=1S/C10H9NOS/c12-9-5-8(6-1-2-6)11-7-3-4-13-10(7)9/h3-6H,1-2H2,(H,11,12)
InChIKeyQYAFYOJVVCAVLT-UHFFFAOYSA-N
XLogP2.47
TPSA32.86 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.25
LogP ≤ 52.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-cyclopropyl-4H-thieno[3,2-b]pyridin-7-one?
The IUPAC name of 5-cyclopropyl-4H-thieno[3,2-b]pyridin-7-one (CID 66350432) is 5-cyclopropyl-4H-thieno[3,2-b]pyridin-7-one.
What is the SMILES notation for 5-cyclopropyl-4H-thieno[3,2-b]pyridin-7-one?
The canonical SMILES for 5-cyclopropyl-4H-thieno[3,2-b]pyridin-7-one is O=c1cc(C2CC2)[nH]c2ccsc12.
What is the InChIKey of 5-cyclopropyl-4H-thieno[3,2-b]pyridin-7-one?
The InChIKey is QYAFYOJVVCAVLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9NOS/c12-9-5-8(6-1-2-6)11-7-3-4-13-10(7)9/h3-6H,1-2H2,(H,11,12).
What are the key properties of 5-cyclopropyl-4H-thieno[3,2-b]pyridin-7-one?
5-cyclopropyl-4H-thieno[3,2-b]pyridin-7-one has a molecular weight of 191.25 g/mol, XLogP of 2.47, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-cyclopropyl-4H-thieno[3,2-b]pyridin-7-one is sourced from PubChem (CID 66350432), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).