3-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)oxolan-2-one

C11H13NO2S — CID 42941023

IUPAC3-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)oxolan-2-one
SMILESO=C1OCCC1N1CCc2sccc2C1
InChIInChI=1S/C11H13NO2S/c13-11-9(2-5-14-11)12-4-1-10-8(7-12)3-6-15-10/h3,6,9H,1-2,4-5,7H2
InChIKeyGUZXYDWVRNSTCG-UHFFFAOYSA-N
MW223.30 g/mol
LogP1.42
Rot. Bonds1

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

3-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)oxolan-2-one (PubChem CID 42941023) has the molecular formula C11H13NO2S and a molecular weight of 223.30 g/mol. Its IUPAC name is 3-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)oxolan-2-one.

Molecular Properties

Compound Name3-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)oxolan-2-one
PubChem CID42941023
Molecular FormulaC11H13NO2S
Molecular Weight223.30 g/mol
Exact Mass223.07
IUPAC Name3-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)oxolan-2-one
SMILESO=C1OCCC1N1CCc2sccc2C1
InChIInChI=1S/C11H13NO2S/c13-11-9(2-5-14-11)12-4-1-10-8(7-12)3-6-15-10/h3,6,9H,1-2,4-5,7H2
InChIKeyGUZXYDWVRNSTCG-UHFFFAOYSA-N
XLogP1.42
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.30
LogP ≤ 51.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)oxolan-2-one?
The IUPAC name of 3-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)oxolan-2-one (CID 42941023) is 3-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)oxolan-2-one.
What is the SMILES notation for 3-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)oxolan-2-one?
The canonical SMILES for 3-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)oxolan-2-one is O=C1OCCC1N1CCc2sccc2C1.
What is the InChIKey of 3-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)oxolan-2-one?
The InChIKey is GUZXYDWVRNSTCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13NO2S/c13-11-9(2-5-14-11)12-4-1-10-8(7-12)3-6-15-10/h3,6,9H,1-2,4-5,7H2.
What are the key properties of 3-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)oxolan-2-one?
3-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)oxolan-2-one has a molecular weight of 223.30 g/mol, XLogP of 1.42, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)oxolan-2-one is sourced from PubChem (CID 42941023), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).