7aH-cyclopenta[b]pyridine

C8H7N — CID 16685899

IUPAC7aH-cyclopenta[b]pyridine
SMILESC1=CC2=CC=CC2N=C1
InChIInChI=1S/C8H7N/c1-3-7-4-2-6-9-8(7)5-1/h1-6,8H
InChIKeyODZGJQQHLAMXRR-UHFFFAOYSA-N
MW117.15 g/mol
LogP1.49
Rot. Bonds

About 7aH-cyclopenta[b]pyridine

7aH-cyclopenta[b]pyridine (PubChem CID 16685899) has the molecular formula C8H7N and a molecular weight of 117.15 g/mol. Its IUPAC name is 7aH-cyclopenta[b]pyridine.

Molecular Properties

Compound Name7aH-cyclopenta[b]pyridine
PubChem CID16685899
Molecular FormulaC8H7N
Molecular Weight117.15 g/mol
Exact Mass117.06
IUPAC Name7aH-cyclopenta[b]pyridine
SMILESC1=CC2=CC=CC2N=C1
InChIInChI=1S/C8H7N/c1-3-7-4-2-6-9-8(7)5-1/h1-6,8H
InChIKeyODZGJQQHLAMXRR-UHFFFAOYSA-N
XLogP1.49
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500117.15
LogP ≤ 51.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 7aH-cyclopenta[b]pyridine?
The IUPAC name of 7aH-cyclopenta[b]pyridine (CID 16685899) is 7aH-cyclopenta[b]pyridine.
What is the SMILES notation for 7aH-cyclopenta[b]pyridine?
The canonical SMILES for 7aH-cyclopenta[b]pyridine is C1=CC2=CC=CC2N=C1.
What is the InChIKey of 7aH-cyclopenta[b]pyridine?
The InChIKey is ODZGJQQHLAMXRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7N/c1-3-7-4-2-6-9-8(7)5-1/h1-6,8H.
What are the key properties of 7aH-cyclopenta[b]pyridine?
7aH-cyclopenta[b]pyridine has a molecular weight of 117.15 g/mol, XLogP of 1.49, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 7aH-cyclopenta[b]pyridine is sourced from PubChem (CID 16685899), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).