ethane;2-methyl-5,6-dihydrothieno[2,3-c]pyrrol-4-one

C9H13NOS — CID 91367756

IUPACethane;2-methyl-5,6-dihydrothieno[2,3-c]pyrrol-4-one
SMILESCC.Cc1cc2c(s1)CNC2=O
InChIInChI=1S/C7H7NOS.C2H6/c1-4-2-5-6(10-4)3-8-7(5)9;1-2/h2H,3H2,1H3,(H,8,9);1-2H3
InChIKeyALRNUJVHLHDIDM-UHFFFAOYSA-N
MW183.28 g/mol
LogP2.33
Rot. Bonds

About ethane;2-methyl-5,6-dihydrothieno[2,3-c]pyrrol-4-one

ethane;2-methyl-5,6-dihydrothieno[2,3-c]pyrrol-4-one (PubChem CID 91367756) has the molecular formula C9H13NOS and a molecular weight of 183.28 g/mol. Its IUPAC name is ethane;2-methyl-5,6-dihydrothieno[2,3-c]pyrrol-4-one.

Molecular Properties

Compound Nameethane;2-methyl-5,6-dihydrothieno[2,3-c]pyrrol-4-one
PubChem CID91367756
Molecular FormulaC9H13NOS
Molecular Weight183.28 g/mol
Exact Mass183.07
IUPAC Nameethane;2-methyl-5,6-dihydrothieno[2,3-c]pyrrol-4-one
SMILESCC.Cc1cc2c(s1)CNC2=O
InChIInChI=1S/C7H7NOS.C2H6/c1-4-2-5-6(10-4)3-8-7(5)9;1-2/h2H,3H2,1H3,(H,8,9);1-2H3
InChIKeyALRNUJVHLHDIDM-UHFFFAOYSA-N
XLogP2.33
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.28
LogP ≤ 52.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of ethane;2-methyl-5,6-dihydrothieno[2,3-c]pyrrol-4-one?
The IUPAC name of ethane;2-methyl-5,6-dihydrothieno[2,3-c]pyrrol-4-one (CID 91367756) is ethane;2-methyl-5,6-dihydrothieno[2,3-c]pyrrol-4-one.
What is the SMILES notation for ethane;2-methyl-5,6-dihydrothieno[2,3-c]pyrrol-4-one?
The canonical SMILES for ethane;2-methyl-5,6-dihydrothieno[2,3-c]pyrrol-4-one is CC.Cc1cc2c(s1)CNC2=O.
What is the InChIKey of ethane;2-methyl-5,6-dihydrothieno[2,3-c]pyrrol-4-one?
The InChIKey is ALRNUJVHLHDIDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7NOS.C2H6/c1-4-2-5-6(10-4)3-8-7(5)9;1-2/h2H,3H2,1H3,(H,8,9);1-2H3.
What are the key properties of ethane;2-methyl-5,6-dihydrothieno[2,3-c]pyrrol-4-one?
ethane;2-methyl-5,6-dihydrothieno[2,3-c]pyrrol-4-one has a molecular weight of 183.28 g/mol, XLogP of 2.33, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;2-methyl-5,6-dihydrothieno[2,3-c]pyrrol-4-one is sourced from PubChem (CID 91367756), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).