3,5-dimethyl-4H-thieno[2,3-c]pyrrol-6-one

C8H9NOS — CID 59073860

IUPAC3,5-dimethyl-4H-thieno[2,3-c]pyrrol-6-one
SMILESCc1csc2c1CN(C)C2=O
InChIInChI=1S/C8H9NOS/c1-5-4-11-7-6(5)3-9(2)8(7)10/h4H,3H2,1-2H3
InChIKeyZQYQGOBNXPHXPV-UHFFFAOYSA-N
MW167.23 g/mol
LogP1.64
Rot. Bonds

About 3,5-dimethyl-4H-thieno[2,3-c]pyrrol-6-one

3,5-dimethyl-4H-thieno[2,3-c]pyrrol-6-one (PubChem CID 59073860) has the molecular formula C8H9NOS and a molecular weight of 167.23 g/mol. Its IUPAC name is 3,5-dimethyl-4H-thieno[2,3-c]pyrrol-6-one.

Molecular Properties

Compound Name3,5-dimethyl-4H-thieno[2,3-c]pyrrol-6-one
PubChem CID59073860
Molecular FormulaC8H9NOS
Molecular Weight167.23 g/mol
Exact Mass167.04
IUPAC Name3,5-dimethyl-4H-thieno[2,3-c]pyrrol-6-one
SMILESCc1csc2c1CN(C)C2=O
InChIInChI=1S/C8H9NOS/c1-5-4-11-7-6(5)3-9(2)8(7)10/h4H,3H2,1-2H3
InChIKeyZQYQGOBNXPHXPV-UHFFFAOYSA-N
XLogP1.64
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.23
LogP ≤ 51.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3,5-dimethyl-4H-thieno[2,3-c]pyrrol-6-one?
The IUPAC name of 3,5-dimethyl-4H-thieno[2,3-c]pyrrol-6-one (CID 59073860) is 3,5-dimethyl-4H-thieno[2,3-c]pyrrol-6-one.
What is the SMILES notation for 3,5-dimethyl-4H-thieno[2,3-c]pyrrol-6-one?
The canonical SMILES for 3,5-dimethyl-4H-thieno[2,3-c]pyrrol-6-one is Cc1csc2c1CN(C)C2=O.
What is the InChIKey of 3,5-dimethyl-4H-thieno[2,3-c]pyrrol-6-one?
The InChIKey is ZQYQGOBNXPHXPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9NOS/c1-5-4-11-7-6(5)3-9(2)8(7)10/h4H,3H2,1-2H3.
What are the key properties of 3,5-dimethyl-4H-thieno[2,3-c]pyrrol-6-one?
3,5-dimethyl-4H-thieno[2,3-c]pyrrol-6-one has a molecular weight of 167.23 g/mol, XLogP of 1.64, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dimethyl-4H-thieno[2,3-c]pyrrol-6-one is sourced from PubChem (CID 59073860), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).