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

C7H8N2 — CID 121322287

IUPAC7,7a-dihydro-3H-pyrrolo[2,3-b]pyridine
SMILESC1=CNC2N=CCC2=C1
InChIInChI=1S/C7H8N2/c1-2-6-3-5-9-7(6)8-4-1/h1-2,4-5,7-8H,3H2
InChIKeyMQDYGAMAJZMXQR-UHFFFAOYSA-N
MW120.15 g/mol
LogP0.83
Rot. Bonds

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

7,7a-dihydro-3H-pyrrolo[2,3-b]pyridine (PubChem CID 121322287) has the molecular formula C7H8N2 and a molecular weight of 120.15 g/mol. Its IUPAC name is 7,7a-dihydro-3H-pyrrolo[2,3-b]pyridine.

Molecular Properties

Compound Name7,7a-dihydro-3H-pyrrolo[2,3-b]pyridine
PubChem CID121322287
Molecular FormulaC7H8N2
Molecular Weight120.15 g/mol
Exact Mass120.07
IUPAC Name7,7a-dihydro-3H-pyrrolo[2,3-b]pyridine
SMILESC1=CNC2N=CCC2=C1
InChIInChI=1S/C7H8N2/c1-2-6-3-5-9-7(6)8-4-1/h1-2,4-5,7-8H,3H2
InChIKeyMQDYGAMAJZMXQR-UHFFFAOYSA-N
XLogP0.83
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500120.15
LogP ≤ 50.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 7,7a-dihydro-3H-pyrrolo[2,3-b]pyridine?
The IUPAC name of 7,7a-dihydro-3H-pyrrolo[2,3-b]pyridine (CID 121322287) is 7,7a-dihydro-3H-pyrrolo[2,3-b]pyridine.
What is the SMILES notation for 7,7a-dihydro-3H-pyrrolo[2,3-b]pyridine?
The canonical SMILES for 7,7a-dihydro-3H-pyrrolo[2,3-b]pyridine is C1=CNC2N=CCC2=C1.
What is the InChIKey of 7,7a-dihydro-3H-pyrrolo[2,3-b]pyridine?
The InChIKey is MQDYGAMAJZMXQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8N2/c1-2-6-3-5-9-7(6)8-4-1/h1-2,4-5,7-8H,3H2.
What are the key properties of 7,7a-dihydro-3H-pyrrolo[2,3-b]pyridine?
7,7a-dihydro-3H-pyrrolo[2,3-b]pyridine has a molecular weight of 120.15 g/mol, XLogP of 0.83, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7,7a-dihydro-3H-pyrrolo[2,3-b]pyridine is sourced from PubChem (CID 121322287), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).