4,4,5-trimethylthieno[3,4-c]pyrrol-6-one

C9H11NOS — CID 21300250

IUPAC4,4,5-trimethylthieno[3,4-c]pyrrol-6-one
SMILESCN1C(=O)c2cscc2C1(C)C
InChIInChI=1S/C9H11NOS/c1-9(2)7-5-12-4-6(7)8(11)10(9)3/h4-5H,1-3H3
InChIKeyFRUMPYAMXZQADC-UHFFFAOYSA-N
MW181.26 g/mol
LogP2.07
Rot. Bonds

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

4,4,5-trimethylthieno[3,4-c]pyrrol-6-one (PubChem CID 21300250) has the molecular formula C9H11NOS and a molecular weight of 181.26 g/mol. Its IUPAC name is 4,4,5-trimethylthieno[3,4-c]pyrrol-6-one.

Molecular Properties

Compound Name4,4,5-trimethylthieno[3,4-c]pyrrol-6-one
PubChem CID21300250
Molecular FormulaC9H11NOS
Molecular Weight181.26 g/mol
Exact Mass181.06
IUPAC Name4,4,5-trimethylthieno[3,4-c]pyrrol-6-one
SMILESCN1C(=O)c2cscc2C1(C)C
InChIInChI=1S/C9H11NOS/c1-9(2)7-5-12-4-6(7)8(11)10(9)3/h4-5H,1-3H3
InChIKeyFRUMPYAMXZQADC-UHFFFAOYSA-N
XLogP2.07
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.26
LogP ≤ 52.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

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CID 90770318
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Frequently Asked Questions

What is the IUPAC name of 4,4,5-trimethylthieno[3,4-c]pyrrol-6-one?
The IUPAC name of 4,4,5-trimethylthieno[3,4-c]pyrrol-6-one (CID 21300250) is 4,4,5-trimethylthieno[3,4-c]pyrrol-6-one.
What is the SMILES notation for 4,4,5-trimethylthieno[3,4-c]pyrrol-6-one?
The canonical SMILES for 4,4,5-trimethylthieno[3,4-c]pyrrol-6-one is CN1C(=O)c2cscc2C1(C)C.
What is the InChIKey of 4,4,5-trimethylthieno[3,4-c]pyrrol-6-one?
The InChIKey is FRUMPYAMXZQADC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11NOS/c1-9(2)7-5-12-4-6(7)8(11)10(9)3/h4-5H,1-3H3.
What are the key properties of 4,4,5-trimethylthieno[3,4-c]pyrrol-6-one?
4,4,5-trimethylthieno[3,4-c]pyrrol-6-one has a molecular weight of 181.26 g/mol, XLogP of 2.07, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4,5-trimethylthieno[3,4-c]pyrrol-6-one is sourced from PubChem (CID 21300250), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).