4a,5,6,7-tetrahydro-2H-pyrrolo[3,4-b]pyridine

C7H10N2 — CID 57157725

IUPAC4a,5,6,7-tetrahydro-2H-pyrrolo[3,4-b]pyridine
SMILESC1=CC2CNCC2=NC1
InChIInChI=1S/C7H10N2/c1-2-6-4-8-5-7(6)9-3-1/h1-2,6,8H,3-5H2
InChIKeyXFERAJSMHXPSQD-UHFFFAOYSA-N
MW122.17 g/mol
LogP0.22
Rot. Bonds

About 4a,5,6,7-tetrahydro-2H-pyrrolo[3,4-b]pyridine

4a,5,6,7-tetrahydro-2H-pyrrolo[3,4-b]pyridine (PubChem CID 57157725) has the molecular formula C7H10N2 and a molecular weight of 122.17 g/mol. Its IUPAC name is 4a,5,6,7-tetrahydro-2H-pyrrolo[3,4-b]pyridine.

Molecular Properties

Compound Name4a,5,6,7-tetrahydro-2H-pyrrolo[3,4-b]pyridine
PubChem CID57157725
Molecular FormulaC7H10N2
Molecular Weight122.17 g/mol
Exact Mass122.08
IUPAC Name4a,5,6,7-tetrahydro-2H-pyrrolo[3,4-b]pyridine
SMILESC1=CC2CNCC2=NC1
InChIInChI=1S/C7H10N2/c1-2-6-4-8-5-7(6)9-3-1/h1-2,6,8H,3-5H2
InChIKeyXFERAJSMHXPSQD-UHFFFAOYSA-N
XLogP0.22
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500122.17
LogP ≤ 50.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

Tetrahydropyrrolo[3,4-a]carbazole
CID 171393736
2,3,3a,4-tetrahydro-1H-pyrrolo[3,4-c]quinoline
CID 70578501

Frequently Asked Questions

What is the IUPAC name of 4a,5,6,7-tetrahydro-2H-pyrrolo[3,4-b]pyridine?
The IUPAC name of 4a,5,6,7-tetrahydro-2H-pyrrolo[3,4-b]pyridine (CID 57157725) is 4a,5,6,7-tetrahydro-2H-pyrrolo[3,4-b]pyridine.
What is the SMILES notation for 4a,5,6,7-tetrahydro-2H-pyrrolo[3,4-b]pyridine?
The canonical SMILES for 4a,5,6,7-tetrahydro-2H-pyrrolo[3,4-b]pyridine is C1=CC2CNCC2=NC1.
What is the InChIKey of 4a,5,6,7-tetrahydro-2H-pyrrolo[3,4-b]pyridine?
The InChIKey is XFERAJSMHXPSQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10N2/c1-2-6-4-8-5-7(6)9-3-1/h1-2,6,8H,3-5H2.
What are the key properties of 4a,5,6,7-tetrahydro-2H-pyrrolo[3,4-b]pyridine?
4a,5,6,7-tetrahydro-2H-pyrrolo[3,4-b]pyridine has a molecular weight of 122.17 g/mol, XLogP of 0.22, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4a,5,6,7-tetrahydro-2H-pyrrolo[3,4-b]pyridine is sourced from PubChem (CID 57157725), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).