2-prop-2-enylsulfonyl-6,7-dihydro-5H-pyrrolo[3,4-b]pyridine

C10H12N2O2S — CID 174593497

IUPAC2-prop-2-enylsulfonyl-6,7-dihydro-5H-pyrrolo[3,4-b]pyridine
SMILESC=CCS(=O)(=O)c1ccc2c(n1)CNC2
InChIInChI=1S/C10H12N2O2S/c1-2-5-15(13,14)10-4-3-8-6-11-7-9(8)12-10/h2-4,11H,1,5-7H2
InChIKeyPJXCUSWJHCUQKY-UHFFFAOYSA-N
MW224.28 g/mol
LogP0.64
Rot. Bonds3

About 2-prop-2-enylsulfonyl-6,7-dihydro-5H-pyrrolo[3,4-b]pyridine

2-prop-2-enylsulfonyl-6,7-dihydro-5H-pyrrolo[3,4-b]pyridine (PubChem CID 174593497) has the molecular formula C10H12N2O2S and a molecular weight of 224.28 g/mol. Its IUPAC name is 2-prop-2-enylsulfonyl-6,7-dihydro-5H-pyrrolo[3,4-b]pyridine.

Molecular Properties

Compound Name2-prop-2-enylsulfonyl-6,7-dihydro-5H-pyrrolo[3,4-b]pyridine
PubChem CID174593497
Molecular FormulaC10H12N2O2S
Molecular Weight224.28 g/mol
Exact Mass224.06
IUPAC Name2-prop-2-enylsulfonyl-6,7-dihydro-5H-pyrrolo[3,4-b]pyridine
SMILESC=CCS(=O)(=O)c1ccc2c(n1)CNC2
InChIInChI=1S/C10H12N2O2S/c1-2-5-15(13,14)10-4-3-8-6-11-7-9(8)12-10/h2-4,11H,1,5-7H2
InChIKeyPJXCUSWJHCUQKY-UHFFFAOYSA-N
XLogP0.64
TPSA59.06 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.28
LogP ≤ 50.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-prop-2-enylsulfonyl-6,7-dihydro-5H-pyrrolo[3,4-b]pyridine?
The IUPAC name of 2-prop-2-enylsulfonyl-6,7-dihydro-5H-pyrrolo[3,4-b]pyridine (CID 174593497) is 2-prop-2-enylsulfonyl-6,7-dihydro-5H-pyrrolo[3,4-b]pyridine.
What is the SMILES notation for 2-prop-2-enylsulfonyl-6,7-dihydro-5H-pyrrolo[3,4-b]pyridine?
The canonical SMILES for 2-prop-2-enylsulfonyl-6,7-dihydro-5H-pyrrolo[3,4-b]pyridine is C=CCS(=O)(=O)c1ccc2c(n1)CNC2.
What is the InChIKey of 2-prop-2-enylsulfonyl-6,7-dihydro-5H-pyrrolo[3,4-b]pyridine?
The InChIKey is PJXCUSWJHCUQKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N2O2S/c1-2-5-15(13,14)10-4-3-8-6-11-7-9(8)12-10/h2-4,11H,1,5-7H2.
What are the key properties of 2-prop-2-enylsulfonyl-6,7-dihydro-5H-pyrrolo[3,4-b]pyridine?
2-prop-2-enylsulfonyl-6,7-dihydro-5H-pyrrolo[3,4-b]pyridine has a molecular weight of 224.28 g/mol, XLogP of 0.64, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-prop-2-enylsulfonyl-6,7-dihydro-5H-pyrrolo[3,4-b]pyridine is sourced from PubChem (CID 174593497), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).