4-tert-butyl-4H-cyclopenta[b]pyridine

C12H15N — CID 172544545

IUPAC4-tert-butyl-4H-cyclopenta[b]pyridine
SMILESCC(C)(C)C1C=CN=C2C=CC=C21
InChIInChI=1S/C12H15N/c1-12(2,3)10-7-8-13-11-6-4-5-9(10)11/h4-8,10H,1-3H3
InChIKeyBVLXQNFXQARJBC-UHFFFAOYSA-N
MW173.26 g/mol
LogP3.11
Rot. Bonds

About 4-tert-butyl-4H-cyclopenta[b]pyridine

4-tert-butyl-4H-cyclopenta[b]pyridine (PubChem CID 172544545) has the molecular formula C12H15N and a molecular weight of 173.26 g/mol. Its IUPAC name is 4-tert-butyl-4H-cyclopenta[b]pyridine.

Molecular Properties

Compound Name4-tert-butyl-4H-cyclopenta[b]pyridine
PubChem CID172544545
Molecular FormulaC12H15N
Molecular Weight173.26 g/mol
Exact Mass173.12
IUPAC Name4-tert-butyl-4H-cyclopenta[b]pyridine
SMILESCC(C)(C)C1C=CN=C2C=CC=C21
InChIInChI=1S/C12H15N/c1-12(2,3)10-7-8-13-11-6-4-5-9(10)11/h4-8,10H,1-3H3
InChIKeyBVLXQNFXQARJBC-UHFFFAOYSA-N
XLogP3.11
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.26
LogP ≤ 53.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 4-tert-butyl-4H-cyclopenta[b]pyridine?
The IUPAC name of 4-tert-butyl-4H-cyclopenta[b]pyridine (CID 172544545) is 4-tert-butyl-4H-cyclopenta[b]pyridine.
What is the SMILES notation for 4-tert-butyl-4H-cyclopenta[b]pyridine?
The canonical SMILES for 4-tert-butyl-4H-cyclopenta[b]pyridine is CC(C)(C)C1C=CN=C2C=CC=C21.
What is the InChIKey of 4-tert-butyl-4H-cyclopenta[b]pyridine?
The InChIKey is BVLXQNFXQARJBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N/c1-12(2,3)10-7-8-13-11-6-4-5-9(10)11/h4-8,10H,1-3H3.
What are the key properties of 4-tert-butyl-4H-cyclopenta[b]pyridine?
4-tert-butyl-4H-cyclopenta[b]pyridine has a molecular weight of 173.26 g/mol, XLogP of 3.11, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-tert-butyl-4H-cyclopenta[b]pyridine is sourced from PubChem (CID 172544545), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).