2-tert-butyl-1-propan-2-ylpyrrolo[3,2-c]pyridine

C14H20N2 — CID 155403882

IUPAC2-tert-butyl-1-propan-2-ylpyrrolo[3,2-c]pyridine
SMILESCC(C)n1c(C(C)(C)C)cc2cnccc21
InChIInChI=1S/C14H20N2/c1-10(2)16-12-6-7-15-9-11(12)8-13(16)14(3,4)5/h6-10H,1-5H3
InChIKeyRSELTMJVMWLKOW-UHFFFAOYSA-N
MW216.33 g/mol
LogP3.91
Rot. Bonds1

About 2-tert-butyl-1-propan-2-ylpyrrolo[3,2-c]pyridine

2-tert-butyl-1-propan-2-ylpyrrolo[3,2-c]pyridine (PubChem CID 155403882) has the molecular formula C14H20N2 and a molecular weight of 216.33 g/mol. Its IUPAC name is 2-tert-butyl-1-propan-2-ylpyrrolo[3,2-c]pyridine.

Molecular Properties

Compound Name2-tert-butyl-1-propan-2-ylpyrrolo[3,2-c]pyridine
PubChem CID155403882
Molecular FormulaC14H20N2
Molecular Weight216.33 g/mol
Exact Mass216.16
IUPAC Name2-tert-butyl-1-propan-2-ylpyrrolo[3,2-c]pyridine
SMILESCC(C)n1c(C(C)(C)C)cc2cnccc21
InChIInChI=1S/C14H20N2/c1-10(2)16-12-6-7-15-9-11(12)8-13(16)14(3,4)5/h6-10H,1-5H3
InChIKeyRSELTMJVMWLKOW-UHFFFAOYSA-N
XLogP3.91
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.33
LogP ≤ 53.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-tert-butyl-1-propan-2-ylpyrrolo[3,2-c]pyridine?
The IUPAC name of 2-tert-butyl-1-propan-2-ylpyrrolo[3,2-c]pyridine (CID 155403882) is 2-tert-butyl-1-propan-2-ylpyrrolo[3,2-c]pyridine.
What is the SMILES notation for 2-tert-butyl-1-propan-2-ylpyrrolo[3,2-c]pyridine?
The canonical SMILES for 2-tert-butyl-1-propan-2-ylpyrrolo[3,2-c]pyridine is CC(C)n1c(C(C)(C)C)cc2cnccc21.
What is the InChIKey of 2-tert-butyl-1-propan-2-ylpyrrolo[3,2-c]pyridine?
The InChIKey is RSELTMJVMWLKOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2/c1-10(2)16-12-6-7-15-9-11(12)8-13(16)14(3,4)5/h6-10H,1-5H3.
What are the key properties of 2-tert-butyl-1-propan-2-ylpyrrolo[3,2-c]pyridine?
2-tert-butyl-1-propan-2-ylpyrrolo[3,2-c]pyridine has a molecular weight of 216.33 g/mol, XLogP of 3.91, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-tert-butyl-1-propan-2-ylpyrrolo[3,2-c]pyridine is sourced from PubChem (CID 155403882), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).