1-(5,6-dihydro-4H-thieno[3,4-c]pyrrol-3-yl)ethanone

C8H9NOS — CID 15284972

IUPAC1-(5,6-dihydro-4H-thieno[3,4-c]pyrrol-3-yl)ethanone
SMILESCC(=O)c1scc2c1CNC2
InChIInChI=1S/C8H9NOS/c1-5(10)8-7-3-9-2-6(7)4-11-8/h4,9H,2-3H2,1H3
InChIKeyBHZPQGVPBZPWAX-UHFFFAOYSA-N
MW167.23 g/mol
LogP1.55
Rot. Bonds1

About 1-(5,6-dihydro-4H-thieno[3,4-c]pyrrol-3-yl)ethanone

1-(5,6-dihydro-4H-thieno[3,4-c]pyrrol-3-yl)ethanone (PubChem CID 15284972) has the molecular formula C8H9NOS and a molecular weight of 167.23 g/mol. Its IUPAC name is 1-(5,6-dihydro-4H-thieno[3,4-c]pyrrol-3-yl)ethanone.

Molecular Properties

Compound Name1-(5,6-dihydro-4H-thieno[3,4-c]pyrrol-3-yl)ethanone
PubChem CID15284972
Molecular FormulaC8H9NOS
Molecular Weight167.23 g/mol
Exact Mass167.04
IUPAC Name1-(5,6-dihydro-4H-thieno[3,4-c]pyrrol-3-yl)ethanone
SMILESCC(=O)c1scc2c1CNC2
InChIInChI=1S/C8H9NOS/c1-5(10)8-7-3-9-2-6(7)4-11-8/h4,9H,2-3H2,1H3
InChIKeyBHZPQGVPBZPWAX-UHFFFAOYSA-N
XLogP1.55
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.23
LogP ≤ 51.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(5,6-dihydro-4H-thieno[3,4-c]pyrrol-3-yl)ethanone?
The IUPAC name of 1-(5,6-dihydro-4H-thieno[3,4-c]pyrrol-3-yl)ethanone (CID 15284972) is 1-(5,6-dihydro-4H-thieno[3,4-c]pyrrol-3-yl)ethanone.
What is the SMILES notation for 1-(5,6-dihydro-4H-thieno[3,4-c]pyrrol-3-yl)ethanone?
The canonical SMILES for 1-(5,6-dihydro-4H-thieno[3,4-c]pyrrol-3-yl)ethanone is CC(=O)c1scc2c1CNC2.
What is the InChIKey of 1-(5,6-dihydro-4H-thieno[3,4-c]pyrrol-3-yl)ethanone?
The InChIKey is BHZPQGVPBZPWAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9NOS/c1-5(10)8-7-3-9-2-6(7)4-11-8/h4,9H,2-3H2,1H3.
What are the key properties of 1-(5,6-dihydro-4H-thieno[3,4-c]pyrrol-3-yl)ethanone?
1-(5,6-dihydro-4H-thieno[3,4-c]pyrrol-3-yl)ethanone has a molecular weight of 167.23 g/mol, XLogP of 1.55, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5,6-dihydro-4H-thieno[3,4-c]pyrrol-3-yl)ethanone is sourced from PubChem (CID 15284972), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).