2-tert-butyl-5,6-dihydro-1H-pyrrolo[2,3-b]pyridine

C11H16N2 — CID 89000850

IUPAC2-tert-butyl-5,6-dihydro-1H-pyrrolo[2,3-b]pyridine
SMILESCC(C)(C)c1cc2c([nH]1)=NCCC=2
InChIInChI=1S/C11H16N2/c1-11(2,3)9-7-8-5-4-6-12-10(8)13-9/h5,7H,4,6H2,1-3H3,(H,12,13)
InChIKeyDSBCRDLUXIXXKT-UHFFFAOYSA-N
MW176.26 g/mol
LogP1.12
Rot. Bonds

About 2-tert-butyl-5,6-dihydro-1H-pyrrolo[2,3-b]pyridine

2-tert-butyl-5,6-dihydro-1H-pyrrolo[2,3-b]pyridine (PubChem CID 89000850) has the molecular formula C11H16N2 and a molecular weight of 176.26 g/mol. Its IUPAC name is 2-tert-butyl-5,6-dihydro-1H-pyrrolo[2,3-b]pyridine.

Molecular Properties

Compound Name2-tert-butyl-5,6-dihydro-1H-pyrrolo[2,3-b]pyridine
PubChem CID89000850
Molecular FormulaC11H16N2
Molecular Weight176.26 g/mol
Exact Mass176.13
IUPAC Name2-tert-butyl-5,6-dihydro-1H-pyrrolo[2,3-b]pyridine
SMILESCC(C)(C)c1cc2c([nH]1)=NCCC=2
InChIInChI=1S/C11H16N2/c1-11(2,3)9-7-8-5-4-6-12-10(8)13-9/h5,7H,4,6H2,1-3H3,(H,12,13)
InChIKeyDSBCRDLUXIXXKT-UHFFFAOYSA-N
XLogP1.12
TPSA28.15 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500176.26
LogP ≤ 51.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-tert-butyl-5,6-dihydro-1H-pyrrolo[2,3-b]pyridine?
The IUPAC name of 2-tert-butyl-5,6-dihydro-1H-pyrrolo[2,3-b]pyridine (CID 89000850) is 2-tert-butyl-5,6-dihydro-1H-pyrrolo[2,3-b]pyridine.
What is the SMILES notation for 2-tert-butyl-5,6-dihydro-1H-pyrrolo[2,3-b]pyridine?
The canonical SMILES for 2-tert-butyl-5,6-dihydro-1H-pyrrolo[2,3-b]pyridine is CC(C)(C)c1cc2c([nH]1)=NCCC=2.
What is the InChIKey of 2-tert-butyl-5,6-dihydro-1H-pyrrolo[2,3-b]pyridine?
The InChIKey is DSBCRDLUXIXXKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2/c1-11(2,3)9-7-8-5-4-6-12-10(8)13-9/h5,7H,4,6H2,1-3H3,(H,12,13).
What are the key properties of 2-tert-butyl-5,6-dihydro-1H-pyrrolo[2,3-b]pyridine?
2-tert-butyl-5,6-dihydro-1H-pyrrolo[2,3-b]pyridine has a molecular weight of 176.26 g/mol, XLogP of 1.12, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-tert-butyl-5,6-dihydro-1H-pyrrolo[2,3-b]pyridine is sourced from PubChem (CID 89000850), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).