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

C7H8N2 — CID 178185805

IUPAC3,3a-dihydro-2H-pyrrolo[2,3-b]pyridine
SMILESC1=CC2CCN=C2N=C1
InChIInChI=1S/C7H8N2/c1-2-6-3-5-9-7(6)8-4-1/h1-2,4,6H,3,5H2
InChIKeyWLASHJDGYLMMBY-UHFFFAOYSA-N
MW120.15 g/mol
LogP1.05
Rot. Bonds

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

3,3a-dihydro-2H-pyrrolo[2,3-b]pyridine (PubChem CID 178185805) has the molecular formula C7H8N2 and a molecular weight of 120.15 g/mol. Its IUPAC name is 3,3a-dihydro-2H-pyrrolo[2,3-b]pyridine.

Molecular Properties

Compound Name3,3a-dihydro-2H-pyrrolo[2,3-b]pyridine
PubChem CID178185805
Molecular FormulaC7H8N2
Molecular Weight120.15 g/mol
Exact Mass120.07
IUPAC Name3,3a-dihydro-2H-pyrrolo[2,3-b]pyridine
SMILESC1=CC2CCN=C2N=C1
InChIInChI=1S/C7H8N2/c1-2-6-3-5-9-7(6)8-4-1/h1-2,4,6H,3,5H2
InChIKeyWLASHJDGYLMMBY-UHFFFAOYSA-N
XLogP1.05
TPSA24.72 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500120.15
LogP ≤ 51.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-(4-fluorocyclohexa-2,4-dien-1-yl)-4H-imidazole
CID 89198240
5,7a-dihydro-4aH-pyrrolo[3,4-b]pyridine
CID 17848308
5,7a-dihydro-4aH-pyrrolo[3,4-b]pyridin-2-amine
CID 22930083
3aH-pyrrolo[2,3-b]pyridine
CID 58286487
3a,7a-dihydro-3H-pyrrolo[2,3-b]pyridine
CID 91307094
7,7a-dihydro-4aH-pyrrolo[3,4-b]pyridine
CID 91802564
3-propan-2-yl-2H-pyrrolo[2,3-b]pyridine
CID 142387758
2-cyclohexa-2,4-dien-1-yl-4H-imidazole
CID 144560923
3aH-pyrazolo[3,4-b]pyridine
CID 152744460
3-methyl-3aH-pyrrolo[2,3-b]pyridine
CID 153359244
ethane;3-methyl-3aH-pyrrolo[2,3-b]pyridine
CID 153359253
3-methyl-2-propan-2-yl-3aH-pyrrolo[2,3-b]pyridine
CID 155280674

Frequently Asked Questions

What is the IUPAC name of 3,3a-dihydro-2H-pyrrolo[2,3-b]pyridine?
The IUPAC name of 3,3a-dihydro-2H-pyrrolo[2,3-b]pyridine (CID 178185805) is 3,3a-dihydro-2H-pyrrolo[2,3-b]pyridine.
What is the SMILES notation for 3,3a-dihydro-2H-pyrrolo[2,3-b]pyridine?
The canonical SMILES for 3,3a-dihydro-2H-pyrrolo[2,3-b]pyridine is C1=CC2CCN=C2N=C1.
What is the InChIKey of 3,3a-dihydro-2H-pyrrolo[2,3-b]pyridine?
The InChIKey is WLASHJDGYLMMBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8N2/c1-2-6-3-5-9-7(6)8-4-1/h1-2,4,6H,3,5H2.
What are the key properties of 3,3a-dihydro-2H-pyrrolo[2,3-b]pyridine?
3,3a-dihydro-2H-pyrrolo[2,3-b]pyridine has a molecular weight of 120.15 g/mol, XLogP of 1.05, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3a-dihydro-2H-pyrrolo[2,3-b]pyridine is sourced from PubChem (CID 178185805), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).