5,7a-dihydro-4aH-cyclopenta[b]pyridine

C8H9N — CID 58270246

IUPAC5,7a-dihydro-4aH-cyclopenta[b]pyridine
SMILESC1=CC2CC=CC2N=C1
InChIInChI=1S/C8H9N/c1-3-7-4-2-6-9-8(7)5-1/h1-2,4-8H,3H2
InChIKeyCONIAOMLNCKCCR-UHFFFAOYSA-N
MW119.17 g/mol
LogP1.57
Rot. Bonds

About 5,7a-dihydro-4aH-cyclopenta[b]pyridine

5,7a-dihydro-4aH-cyclopenta[b]pyridine (PubChem CID 58270246) has the molecular formula C8H9N and a molecular weight of 119.17 g/mol. Its IUPAC name is 5,7a-dihydro-4aH-cyclopenta[b]pyridine.

Molecular Properties

Compound Name5,7a-dihydro-4aH-cyclopenta[b]pyridine
PubChem CID58270246
Molecular FormulaC8H9N
Molecular Weight119.17 g/mol
Exact Mass119.07
IUPAC Name5,7a-dihydro-4aH-cyclopenta[b]pyridine
SMILESC1=CC2CC=CC2N=C1
InChIInChI=1S/C8H9N/c1-3-7-4-2-6-9-8(7)5-1/h1-2,4-8H,3H2
InChIKeyCONIAOMLNCKCCR-UHFFFAOYSA-N
XLogP1.57
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500119.17
LogP ≤ 51.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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 5,7a-dihydro-4aH-cyclopenta[b]pyridine?
The IUPAC name of 5,7a-dihydro-4aH-cyclopenta[b]pyridine (CID 58270246) is 5,7a-dihydro-4aH-cyclopenta[b]pyridine.
What is the SMILES notation for 5,7a-dihydro-4aH-cyclopenta[b]pyridine?
The canonical SMILES for 5,7a-dihydro-4aH-cyclopenta[b]pyridine is C1=CC2CC=CC2N=C1.
What is the InChIKey of 5,7a-dihydro-4aH-cyclopenta[b]pyridine?
The InChIKey is CONIAOMLNCKCCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9N/c1-3-7-4-2-6-9-8(7)5-1/h1-2,4-8H,3H2.
What are the key properties of 5,7a-dihydro-4aH-cyclopenta[b]pyridine?
5,7a-dihydro-4aH-cyclopenta[b]pyridine has a molecular weight of 119.17 g/mol, XLogP of 1.57, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5,7a-dihydro-4aH-cyclopenta[b]pyridine is sourced from PubChem (CID 58270246), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).