5-ethenyl-3a,7a-dihydro-1H-pyrrolo[2,3-b]pyridine

C9H10N2 — CID 88999305

IUPAC5-ethenyl-3a,7a-dihydro-1H-pyrrolo[2,3-b]pyridine
SMILESC=CC1=CC2C=CNC2N=C1
InChIInChI=1S/C9H10N2/c1-2-7-5-8-3-4-10-9(8)11-6-7/h2-6,8-10H,1H2
InChIKeyDYGVUHOCFOZMMT-UHFFFAOYSA-N
MW146.19 g/mol
LogP1.24
Rot. Bonds1

About 5-ethenyl-3a,7a-dihydro-1H-pyrrolo[2,3-b]pyridine

5-ethenyl-3a,7a-dihydro-1H-pyrrolo[2,3-b]pyridine (PubChem CID 88999305) has the molecular formula C9H10N2 and a molecular weight of 146.19 g/mol. Its IUPAC name is 5-ethenyl-3a,7a-dihydro-1H-pyrrolo[2,3-b]pyridine.

Molecular Properties

Compound Name5-ethenyl-3a,7a-dihydro-1H-pyrrolo[2,3-b]pyridine
PubChem CID88999305
Molecular FormulaC9H10N2
Molecular Weight146.19 g/mol
Exact Mass146.08
IUPAC Name5-ethenyl-3a,7a-dihydro-1H-pyrrolo[2,3-b]pyridine
SMILESC=CC1=CC2C=CNC2N=C1
InChIInChI=1S/C9H10N2/c1-2-7-5-8-3-4-10-9(8)11-6-7/h2-6,8-10H,1H2
InChIKeyDYGVUHOCFOZMMT-UHFFFAOYSA-N
XLogP1.24
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500146.19
LogP ≤ 51.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-ethenyl-3a,7a-dihydro-1H-pyrrolo[2,3-b]pyridine?
The IUPAC name of 5-ethenyl-3a,7a-dihydro-1H-pyrrolo[2,3-b]pyridine (CID 88999305) is 5-ethenyl-3a,7a-dihydro-1H-pyrrolo[2,3-b]pyridine.
What is the SMILES notation for 5-ethenyl-3a,7a-dihydro-1H-pyrrolo[2,3-b]pyridine?
The canonical SMILES for 5-ethenyl-3a,7a-dihydro-1H-pyrrolo[2,3-b]pyridine is C=CC1=CC2C=CNC2N=C1.
What is the InChIKey of 5-ethenyl-3a,7a-dihydro-1H-pyrrolo[2,3-b]pyridine?
The InChIKey is DYGVUHOCFOZMMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10N2/c1-2-7-5-8-3-4-10-9(8)11-6-7/h2-6,8-10H,1H2.
What are the key properties of 5-ethenyl-3a,7a-dihydro-1H-pyrrolo[2,3-b]pyridine?
5-ethenyl-3a,7a-dihydro-1H-pyrrolo[2,3-b]pyridine has a molecular weight of 146.19 g/mol, XLogP of 1.24, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethenyl-3a,7a-dihydro-1H-pyrrolo[2,3-b]pyridine is sourced from PubChem (CID 88999305), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).