2-formyl-1,3,4,6-tetrahydropyrrolo[3,4-c]pyrrole-5-sulfinic acid

C7H10N2O3S — CID 146530150

IUPAC2-formyl-1,3,4,6-tetrahydropyrrolo[3,4-c]pyrrole-5-sulfinic acid
SMILESO=CN1CC2=C(C1)CN(S(=O)O)C2
InChIInChI=1S/C7H10N2O3S/c10-5-8-1-6-3-9(13(11)12)4-7(6)2-8/h5H,1-4H2,(H,11,12)
InChIKeyYQGPSZPZNLPMIS-UHFFFAOYSA-N
MW202.23 g/mol
LogP-0.79
Rot. Bonds2

About 2-formyl-1,3,4,6-tetrahydropyrrolo[3,4-c]pyrrole-5-sulfinic acid

2-formyl-1,3,4,6-tetrahydropyrrolo[3,4-c]pyrrole-5-sulfinic acid (PubChem CID 146530150) has the molecular formula C7H10N2O3S and a molecular weight of 202.23 g/mol. Its IUPAC name is 2-formyl-1,3,4,6-tetrahydropyrrolo[3,4-c]pyrrole-5-sulfinic acid.

Molecular Properties

Compound Name2-formyl-1,3,4,6-tetrahydropyrrolo[3,4-c]pyrrole-5-sulfinic acid
PubChem CID146530150
Molecular FormulaC7H10N2O3S
Molecular Weight202.23 g/mol
Exact Mass202.04
IUPAC Name2-formyl-1,3,4,6-tetrahydropyrrolo[3,4-c]pyrrole-5-sulfinic acid
SMILESO=CN1CC2=C(C1)CN(S(=O)O)C2
InChIInChI=1S/C7H10N2O3S/c10-5-8-1-6-3-9(13(11)12)4-7(6)2-8/h5H,1-4H2,(H,11,12)
InChIKeyYQGPSZPZNLPMIS-UHFFFAOYSA-N
XLogP-0.79
TPSA60.85 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.23
LogP ≤ 5-0.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-formyl-1,3,4,6-tetrahydropyrrolo[3,4-c]pyrrole-5-sulfinic acid?
The IUPAC name of 2-formyl-1,3,4,6-tetrahydropyrrolo[3,4-c]pyrrole-5-sulfinic acid (CID 146530150) is 2-formyl-1,3,4,6-tetrahydropyrrolo[3,4-c]pyrrole-5-sulfinic acid.
What is the SMILES notation for 2-formyl-1,3,4,6-tetrahydropyrrolo[3,4-c]pyrrole-5-sulfinic acid?
The canonical SMILES for 2-formyl-1,3,4,6-tetrahydropyrrolo[3,4-c]pyrrole-5-sulfinic acid is O=CN1CC2=C(C1)CN(S(=O)O)C2.
What is the InChIKey of 2-formyl-1,3,4,6-tetrahydropyrrolo[3,4-c]pyrrole-5-sulfinic acid?
The InChIKey is YQGPSZPZNLPMIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10N2O3S/c10-5-8-1-6-3-9(13(11)12)4-7(6)2-8/h5H,1-4H2,(H,11,12).
What are the key properties of 2-formyl-1,3,4,6-tetrahydropyrrolo[3,4-c]pyrrole-5-sulfinic acid?
2-formyl-1,3,4,6-tetrahydropyrrolo[3,4-c]pyrrole-5-sulfinic acid has a molecular weight of 202.23 g/mol, XLogP of -0.79, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-formyl-1,3,4,6-tetrahydropyrrolo[3,4-c]pyrrole-5-sulfinic acid is sourced from PubChem (CID 146530150), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).