5-tert-butyl-3aH-pyrrolo[3,2-b]pyridine

C11H14N2 — CID 134271414

IUPAC5-tert-butyl-3aH-pyrrolo[3,2-b]pyridine
SMILESCC(C)(C)C1=NC2C=CN=C2C=C1
InChIInChI=1S/C11H14N2/c1-11(2,3)10-5-4-8-9(13-10)6-7-12-8/h4-7,9H,1-3H3
InChIKeyPPGUINCGNZVMBT-UHFFFAOYSA-N
MW174.25 g/mol
LogP2.38
Rot. Bonds

About 5-tert-butyl-3aH-pyrrolo[3,2-b]pyridine

5-tert-butyl-3aH-pyrrolo[3,2-b]pyridine (PubChem CID 134271414) has the molecular formula C11H14N2 and a molecular weight of 174.25 g/mol. Its IUPAC name is 5-tert-butyl-3aH-pyrrolo[3,2-b]pyridine.

Molecular Properties

Compound Name5-tert-butyl-3aH-pyrrolo[3,2-b]pyridine
PubChem CID134271414
Molecular FormulaC11H14N2
Molecular Weight174.25 g/mol
Exact Mass174.12
IUPAC Name5-tert-butyl-3aH-pyrrolo[3,2-b]pyridine
SMILESCC(C)(C)C1=NC2C=CN=C2C=C1
InChIInChI=1S/C11H14N2/c1-11(2,3)10-5-4-8-9(13-10)6-7-12-8/h4-7,9H,1-3H3
InChIKeyPPGUINCGNZVMBT-UHFFFAOYSA-N
XLogP2.38
TPSA24.72 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.25
LogP ≤ 52.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2,5-ditert-butyl-2H-pyrrole
CID 22374998
5-tert-butyl-2H-pyrrole
CID 57674557
5-methyl-3aH-pyrrolo[3,2-b]pyridine
CID 59199740
2-tert-butyl-7aH-pyrrolo[3,2-b]pyridine
CID 59457874
2,5-ditert-butyl-3aH-pyrrolo[3,2-b]pyridine
CID 59591438
2,5-diethyl-3aH-pyrrolo[3,2-b]pyridine
CID 89014932
5-tert-butyl-2-methyl-2H-pyrrole
CID 90058736
(Z)-N-ethenyl-2,2-dimethylhex-4-en-3-imine
CID 129035901
2-tert-butyl-7aH-indole
CID 132101350
(2R)-5-tert-butyl-2-methyl-2H-pyrrole
CID 139444438
(Z)-2,2-dimethyl-N-[(Z)-prop-1-enyl]hex-4-en-3-imine
CID 139493098
6-propan-2-yl-8aH-pyrrolo[1,2-a]pyrazin-5-ium
CID 156663117

Frequently Asked Questions

What is the IUPAC name of 5-tert-butyl-3aH-pyrrolo[3,2-b]pyridine?
The IUPAC name of 5-tert-butyl-3aH-pyrrolo[3,2-b]pyridine (CID 134271414) is 5-tert-butyl-3aH-pyrrolo[3,2-b]pyridine.
What is the SMILES notation for 5-tert-butyl-3aH-pyrrolo[3,2-b]pyridine?
The canonical SMILES for 5-tert-butyl-3aH-pyrrolo[3,2-b]pyridine is CC(C)(C)C1=NC2C=CN=C2C=C1.
What is the InChIKey of 5-tert-butyl-3aH-pyrrolo[3,2-b]pyridine?
The InChIKey is PPGUINCGNZVMBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N2/c1-11(2,3)10-5-4-8-9(13-10)6-7-12-8/h4-7,9H,1-3H3.
What are the key properties of 5-tert-butyl-3aH-pyrrolo[3,2-b]pyridine?
5-tert-butyl-3aH-pyrrolo[3,2-b]pyridine has a molecular weight of 174.25 g/mol, XLogP of 2.38, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-tert-butyl-3aH-pyrrolo[3,2-b]pyridine is sourced from PubChem (CID 134271414), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).