ethene;5-methylthieno[2,3-c]pyrrole-4,6-dione

C9H9NO2S — CID 144821069

IUPACethene;5-methylthieno[2,3-c]pyrrole-4,6-dione
SMILESC=C.CN1C(=O)c2ccsc2C1=O
InChIInChI=1S/C7H5NO2S.C2H4/c1-8-6(9)4-2-3-11-5(4)7(8)10;1-2/h2-3H,1H3;1-2H2
InChIKeyWOIPKGNLNPWQKE-UHFFFAOYSA-N
MW195.24 g/mol
LogP1.78
Rot. Bonds

About ethene;5-methylthieno[2,3-c]pyrrole-4,6-dione

ethene;5-methylthieno[2,3-c]pyrrole-4,6-dione (PubChem CID 144821069) has the molecular formula C9H9NO2S and a molecular weight of 195.24 g/mol. Its IUPAC name is ethene;5-methylthieno[2,3-c]pyrrole-4,6-dione.

Molecular Properties

Compound Nameethene;5-methylthieno[2,3-c]pyrrole-4,6-dione
PubChem CID144821069
Molecular FormulaC9H9NO2S
Molecular Weight195.24 g/mol
Exact Mass195.04
IUPAC Nameethene;5-methylthieno[2,3-c]pyrrole-4,6-dione
SMILESC=C.CN1C(=O)c2ccsc2C1=O
InChIInChI=1S/C7H5NO2S.C2H4/c1-8-6(9)4-2-3-11-5(4)7(8)10;1-2/h2-3H,1H3;1-2H2
InChIKeyWOIPKGNLNPWQKE-UHFFFAOYSA-N
XLogP1.78
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.24
LogP ≤ 51.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'phthalimide', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of ethene;5-methylthieno[2,3-c]pyrrole-4,6-dione?
The IUPAC name of ethene;5-methylthieno[2,3-c]pyrrole-4,6-dione (CID 144821069) is ethene;5-methylthieno[2,3-c]pyrrole-4,6-dione.
What is the SMILES notation for ethene;5-methylthieno[2,3-c]pyrrole-4,6-dione?
The canonical SMILES for ethene;5-methylthieno[2,3-c]pyrrole-4,6-dione is C=C.CN1C(=O)c2ccsc2C1=O.
What is the InChIKey of ethene;5-methylthieno[2,3-c]pyrrole-4,6-dione?
The InChIKey is WOIPKGNLNPWQKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H5NO2S.C2H4/c1-8-6(9)4-2-3-11-5(4)7(8)10;1-2/h2-3H,1H3;1-2H2.
What are the key properties of ethene;5-methylthieno[2,3-c]pyrrole-4,6-dione?
ethene;5-methylthieno[2,3-c]pyrrole-4,6-dione has a molecular weight of 195.24 g/mol, XLogP of 1.78, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethene;5-methylthieno[2,3-c]pyrrole-4,6-dione is sourced from PubChem (CID 144821069), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).