6-tert-butyl-3,4,5,7-tetrahydropyrrolo[2,3-c]pyridine

C11H18N2 — CID 157212480

IUPAC6-tert-butyl-3,4,5,7-tetrahydropyrrolo[2,3-c]pyridine
SMILESCC(C)(C)N1CCC2=C(C1)N=CC2
InChIInChI=1S/C11H18N2/c1-11(2,3)13-7-5-9-4-6-12-10(9)8-13/h6H,4-5,7-8H2,1-3H3
InChIKeyUMLKWWKHYMFUCU-UHFFFAOYSA-N
MW178.28 g/mol
LogP2.22
Rot. Bonds

About 6-tert-butyl-3,4,5,7-tetrahydropyrrolo[2,3-c]pyridine

6-tert-butyl-3,4,5,7-tetrahydropyrrolo[2,3-c]pyridine (PubChem CID 157212480) has the molecular formula C11H18N2 and a molecular weight of 178.28 g/mol. Its IUPAC name is 6-tert-butyl-3,4,5,7-tetrahydropyrrolo[2,3-c]pyridine.

Molecular Properties

Compound Name6-tert-butyl-3,4,5,7-tetrahydropyrrolo[2,3-c]pyridine
PubChem CID157212480
Molecular FormulaC11H18N2
Molecular Weight178.28 g/mol
Exact Mass178.15
IUPAC Name6-tert-butyl-3,4,5,7-tetrahydropyrrolo[2,3-c]pyridine
SMILESCC(C)(C)N1CCC2=C(C1)N=CC2
InChIInChI=1S/C11H18N2/c1-11(2,3)13-7-5-9-4-6-12-10(9)8-13/h6H,4-5,7-8H2,1-3H3
InChIKeyUMLKWWKHYMFUCU-UHFFFAOYSA-N
XLogP2.22
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.28
LogP ≤ 52.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 6-tert-butyl-3,4,5,7-tetrahydropyrrolo[2,3-c]pyridine?
The IUPAC name of 6-tert-butyl-3,4,5,7-tetrahydropyrrolo[2,3-c]pyridine (CID 157212480) is 6-tert-butyl-3,4,5,7-tetrahydropyrrolo[2,3-c]pyridine.
What is the SMILES notation for 6-tert-butyl-3,4,5,7-tetrahydropyrrolo[2,3-c]pyridine?
The canonical SMILES for 6-tert-butyl-3,4,5,7-tetrahydropyrrolo[2,3-c]pyridine is CC(C)(C)N1CCC2=C(C1)N=CC2.
What is the InChIKey of 6-tert-butyl-3,4,5,7-tetrahydropyrrolo[2,3-c]pyridine?
The InChIKey is UMLKWWKHYMFUCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2/c1-11(2,3)13-7-5-9-4-6-12-10(9)8-13/h6H,4-5,7-8H2,1-3H3.
What are the key properties of 6-tert-butyl-3,4,5,7-tetrahydropyrrolo[2,3-c]pyridine?
6-tert-butyl-3,4,5,7-tetrahydropyrrolo[2,3-c]pyridine has a molecular weight of 178.28 g/mol, XLogP of 2.22, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-tert-butyl-3,4,5,7-tetrahydropyrrolo[2,3-c]pyridine is sourced from PubChem (CID 157212480), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).