3-methyl-4,5-dihydrothieno[3,4-c]pyrrol-6-one

C7H7NOS — CID 142387876

IUPAC3-methyl-4,5-dihydrothieno[3,4-c]pyrrol-6-one
SMILESCc1scc2c1CNC2=O
InChIInChI=1S/C7H7NOS/c1-4-5-2-8-7(9)6(5)3-10-4/h3H,2H2,1H3,(H,8,9)
InChIKeyFZNWXKJSUHSZLV-UHFFFAOYSA-N
MW153.21 g/mol
LogP1.30
Rot. Bonds

About 3-methyl-4,5-dihydrothieno[3,4-c]pyrrol-6-one

3-methyl-4,5-dihydrothieno[3,4-c]pyrrol-6-one (PubChem CID 142387876) has the molecular formula C7H7NOS and a molecular weight of 153.21 g/mol. Its IUPAC name is 3-methyl-4,5-dihydrothieno[3,4-c]pyrrol-6-one.

Molecular Properties

Compound Name3-methyl-4,5-dihydrothieno[3,4-c]pyrrol-6-one
PubChem CID142387876
Molecular FormulaC7H7NOS
Molecular Weight153.21 g/mol
Exact Mass153.02
IUPAC Name3-methyl-4,5-dihydrothieno[3,4-c]pyrrol-6-one
SMILESCc1scc2c1CNC2=O
InChIInChI=1S/C7H7NOS/c1-4-5-2-8-7(9)6(5)3-10-4/h3H,2H2,1H3,(H,8,9)
InChIKeyFZNWXKJSUHSZLV-UHFFFAOYSA-N
XLogP1.30
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500153.21
LogP ≤ 51.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-4,5-dihydrothieno[3,4-c]pyrrol-6-one?
The IUPAC name of 3-methyl-4,5-dihydrothieno[3,4-c]pyrrol-6-one (CID 142387876) is 3-methyl-4,5-dihydrothieno[3,4-c]pyrrol-6-one.
What is the SMILES notation for 3-methyl-4,5-dihydrothieno[3,4-c]pyrrol-6-one?
The canonical SMILES for 3-methyl-4,5-dihydrothieno[3,4-c]pyrrol-6-one is Cc1scc2c1CNC2=O.
What is the InChIKey of 3-methyl-4,5-dihydrothieno[3,4-c]pyrrol-6-one?
The InChIKey is FZNWXKJSUHSZLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7NOS/c1-4-5-2-8-7(9)6(5)3-10-4/h3H,2H2,1H3,(H,8,9).
What are the key properties of 3-methyl-4,5-dihydrothieno[3,4-c]pyrrol-6-one?
3-methyl-4,5-dihydrothieno[3,4-c]pyrrol-6-one has a molecular weight of 153.21 g/mol, XLogP of 1.30, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-4,5-dihydrothieno[3,4-c]pyrrol-6-one is sourced from PubChem (CID 142387876), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).