6-(thiophen-2-ylmethyl)pyrrolo[3,4-b]pyridine-5,7-dione

C12H8N2O2S — CID 5308221

IUPAC6-(thiophen-2-ylmethyl)pyrrolo[3,4-b]pyridine-5,7-dione
SMILESO=C1c2cccnc2C(=O)N1Cc1cccs1
InChIInChI=1S/C12H8N2O2S/c15-11-9-4-1-5-13-10(9)12(16)14(11)7-8-3-2-6-17-8/h1-6H,7H2
InChIKeyNORRPGKFSQKKJX-UHFFFAOYSA-N
MW244.28 g/mol
LogP1.94
Rot. Bonds2

About 6-(thiophen-2-ylmethyl)pyrrolo[3,4-b]pyridine-5,7-dione

6-(thiophen-2-ylmethyl)pyrrolo[3,4-b]pyridine-5,7-dione (PubChem CID 5308221) has the molecular formula C12H8N2O2S and a molecular weight of 244.28 g/mol. Its IUPAC name is 6-(thiophen-2-ylmethyl)pyrrolo[3,4-b]pyridine-5,7-dione.

Molecular Properties

Compound Name6-(thiophen-2-ylmethyl)pyrrolo[3,4-b]pyridine-5,7-dione
PubChem CID5308221
Molecular FormulaC12H8N2O2S
Molecular Weight244.28 g/mol
Exact Mass244.03
IUPAC Name6-(thiophen-2-ylmethyl)pyrrolo[3,4-b]pyridine-5,7-dione
SMILESO=C1c2cccnc2C(=O)N1Cc1cccs1
InChIInChI=1S/C12H8N2O2S/c15-11-9-4-1-5-13-10(9)12(16)14(11)7-8-3-2-6-17-8/h1-6H,7H2
InChIKeyNORRPGKFSQKKJX-UHFFFAOYSA-N
XLogP1.94
TPSA50.27 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.28
LogP ≤ 51.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 6-(thiophen-2-ylmethyl)pyrrolo[3,4-b]pyridine-5,7-dione?
The IUPAC name of 6-(thiophen-2-ylmethyl)pyrrolo[3,4-b]pyridine-5,7-dione (CID 5308221) is 6-(thiophen-2-ylmethyl)pyrrolo[3,4-b]pyridine-5,7-dione.
What is the SMILES notation for 6-(thiophen-2-ylmethyl)pyrrolo[3,4-b]pyridine-5,7-dione?
The canonical SMILES for 6-(thiophen-2-ylmethyl)pyrrolo[3,4-b]pyridine-5,7-dione is O=C1c2cccnc2C(=O)N1Cc1cccs1.
What is the InChIKey of 6-(thiophen-2-ylmethyl)pyrrolo[3,4-b]pyridine-5,7-dione?
The InChIKey is NORRPGKFSQKKJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8N2O2S/c15-11-9-4-1-5-13-10(9)12(16)14(11)7-8-3-2-6-17-8/h1-6H,7H2.
What are the key properties of 6-(thiophen-2-ylmethyl)pyrrolo[3,4-b]pyridine-5,7-dione?
6-(thiophen-2-ylmethyl)pyrrolo[3,4-b]pyridine-5,7-dione has a molecular weight of 244.28 g/mol, XLogP of 1.94, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(thiophen-2-ylmethyl)pyrrolo[3,4-b]pyridine-5,7-dione is sourced from PubChem (CID 5308221), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).