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

C10H15NOS — CID 167508069

IUPAC3,5-dimethyl-4H-thieno[3,4-c]pyrrol-6-one;ethane
SMILESCC.Cc1scc2c1CN(C)C2=O
InChIInChI=1S/C8H9NOS.C2H6/c1-5-6-3-9(2)8(10)7(6)4-11-5;1-2/h4H,3H2,1-2H3;1-2H3
InChIKeyQGZYAGLVGFWJGI-UHFFFAOYSA-N
MW197.30 g/mol
LogP2.67
Rot. Bonds

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

3,5-dimethyl-4H-thieno[3,4-c]pyrrol-6-one;ethane (PubChem CID 167508069) has the molecular formula C10H15NOS and a molecular weight of 197.30 g/mol. Its IUPAC name is 3,5-dimethyl-4H-thieno[3,4-c]pyrrol-6-one;ethane.

Molecular Properties

Compound Name3,5-dimethyl-4H-thieno[3,4-c]pyrrol-6-one;ethane
PubChem CID167508069
Molecular FormulaC10H15NOS
Molecular Weight197.30 g/mol
Exact Mass197.09
IUPAC Name3,5-dimethyl-4H-thieno[3,4-c]pyrrol-6-one;ethane
SMILESCC.Cc1scc2c1CN(C)C2=O
InChIInChI=1S/C8H9NOS.C2H6/c1-5-6-3-9(2)8(10)7(6)4-11-5;1-2/h4H,3H2,1-2H3;1-2H3
InChIKeyQGZYAGLVGFWJGI-UHFFFAOYSA-N
XLogP2.67
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.30
LogP ≤ 52.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

3-methyl-4,5-dihydrothieno[3,4-c]pyrrol-6-one
CID 142387876
N-formyl-3,3,5,5-tetramethyl-2-(3-methyl-6-oxo-4H-thieno[3,4-c]pyrrol-5-yl)hexanamide
CID 153398339
2,6-dimethyl-5-propan-2-yl-3H-isoindol-1-one
CID 163943326
6-methyl-7H-pyrrolo[3,4-c]pyridazin-5-one
CID 139360753
4-methyl-1,3-dihydrothieno[2,3-e][1,4]diazepine-2,5-dione
CID 21289974
ethane;2-methyl-3H-isoindol-1-one;propane
CID 171626915
2,5-dimethyl-1,3-dihydroisoindole;2,4-dimethyl-3H-isoindol-1-one;ethane
CID 172632332
4-iodo-6-methoxy-2-methyl-3H-isoindol-1-one
CID 133057032
6-(3-hydroxypropyl)-2,4-dimethyl-3H-isoindol-1-one
CID 157010749
5,6-bis(bromomethyl)-2-methyl-3H-isoindol-1-one
CID 138981438
4-bromo-2-methyl-3H-isoindol-1-one;6-bromo-2-methyl-3H-isoindol-1-one;ethane
CID 142597111
2-methyl-5-(4-methylphenyl)-3H-isoindol-1-one
CID 123197449

Frequently Asked Questions

What is the IUPAC name of 3,5-dimethyl-4H-thieno[3,4-c]pyrrol-6-one;ethane?
The IUPAC name of 3,5-dimethyl-4H-thieno[3,4-c]pyrrol-6-one;ethane (CID 167508069) is 3,5-dimethyl-4H-thieno[3,4-c]pyrrol-6-one;ethane.
What is the SMILES notation for 3,5-dimethyl-4H-thieno[3,4-c]pyrrol-6-one;ethane?
The canonical SMILES for 3,5-dimethyl-4H-thieno[3,4-c]pyrrol-6-one;ethane is CC.Cc1scc2c1CN(C)C2=O.
What is the InChIKey of 3,5-dimethyl-4H-thieno[3,4-c]pyrrol-6-one;ethane?
The InChIKey is QGZYAGLVGFWJGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9NOS.C2H6/c1-5-6-3-9(2)8(10)7(6)4-11-5;1-2/h4H,3H2,1-2H3;1-2H3.
What are the key properties of 3,5-dimethyl-4H-thieno[3,4-c]pyrrol-6-one;ethane?
3,5-dimethyl-4H-thieno[3,4-c]pyrrol-6-one;ethane has a molecular weight of 197.30 g/mol, XLogP of 2.67, 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[3,4-c]pyrrol-6-one;ethane is sourced from PubChem (CID 167508069), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).