3-butyl-4aH-cyclopenta[b]pyridine

C12H15N — CID 138533010

IUPAC3-butyl-4aH-cyclopenta[b]pyridine
SMILESCCCCC1=CC2C=CC=C2N=C1
InChIInChI=1S/C12H15N/c1-2-3-5-10-8-11-6-4-7-12(11)13-9-10/h4,6-9,11H,2-3,5H2,1H3
InChIKeyMCHYQKRORPUQCO-UHFFFAOYSA-N
MW173.26 g/mol
LogP3.26
Rot. Bonds3

About 3-butyl-4aH-cyclopenta[b]pyridine

3-butyl-4aH-cyclopenta[b]pyridine (PubChem CID 138533010) has the molecular formula C12H15N and a molecular weight of 173.26 g/mol. Its IUPAC name is 3-butyl-4aH-cyclopenta[b]pyridine.

Molecular Properties

Compound Name3-butyl-4aH-cyclopenta[b]pyridine
PubChem CID138533010
Molecular FormulaC12H15N
Molecular Weight173.26 g/mol
Exact Mass173.12
IUPAC Name3-butyl-4aH-cyclopenta[b]pyridine
SMILESCCCCC1=CC2C=CC=C2N=C1
InChIInChI=1S/C12H15N/c1-2-3-5-10-8-11-6-4-7-12(11)13-9-10/h4,6-9,11H,2-3,5H2,1H3
InChIKeyMCHYQKRORPUQCO-UHFFFAOYSA-N
XLogP3.26
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.26
LogP ≤ 53.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3-butyl-4aH-cyclopenta[b]pyridine?
The IUPAC name of 3-butyl-4aH-cyclopenta[b]pyridine (CID 138533010) is 3-butyl-4aH-cyclopenta[b]pyridine.
What is the SMILES notation for 3-butyl-4aH-cyclopenta[b]pyridine?
The canonical SMILES for 3-butyl-4aH-cyclopenta[b]pyridine is CCCCC1=CC2C=CC=C2N=C1.
What is the InChIKey of 3-butyl-4aH-cyclopenta[b]pyridine?
The InChIKey is MCHYQKRORPUQCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N/c1-2-3-5-10-8-11-6-4-7-12(11)13-9-10/h4,6-9,11H,2-3,5H2,1H3.
What are the key properties of 3-butyl-4aH-cyclopenta[b]pyridine?
3-butyl-4aH-cyclopenta[b]pyridine has a molecular weight of 173.26 g/mol, XLogP of 3.26, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-butyl-4aH-cyclopenta[b]pyridine is sourced from PubChem (CID 138533010), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).