7-tert-butyl-1,4,5,6-tetrahydropyrrolo[2,3-b]pyridine

C11H18N2 — CID 146338933

IUPAC7-tert-butyl-1,4,5,6-tetrahydropyrrolo[2,3-b]pyridine
SMILESCC(C)(C)N1CCCc2cc[nH]c21
InChIInChI=1S/C11H18N2/c1-11(2,3)13-8-4-5-9-6-7-12-10(9)13/h6-7,12H,4-5,8H2,1-3H3
InChIKeyMYWNZIACEDHURZ-UHFFFAOYSA-N
MW178.28 g/mol
LogP2.57
Rot. Bonds

About 7-tert-butyl-1,4,5,6-tetrahydropyrrolo[2,3-b]pyridine

7-tert-butyl-1,4,5,6-tetrahydropyrrolo[2,3-b]pyridine (PubChem CID 146338933) has the molecular formula C11H18N2 and a molecular weight of 178.28 g/mol. Its IUPAC name is 7-tert-butyl-1,4,5,6-tetrahydropyrrolo[2,3-b]pyridine.

Molecular Properties

Compound Name7-tert-butyl-1,4,5,6-tetrahydropyrrolo[2,3-b]pyridine
PubChem CID146338933
Molecular FormulaC11H18N2
Molecular Weight178.28 g/mol
Exact Mass178.15
IUPAC Name7-tert-butyl-1,4,5,6-tetrahydropyrrolo[2,3-b]pyridine
SMILESCC(C)(C)N1CCCc2cc[nH]c21
InChIInChI=1S/C11H18N2/c1-11(2,3)13-8-4-5-9-6-7-12-10(9)13/h6-7,12H,4-5,8H2,1-3H3
InChIKeyMYWNZIACEDHURZ-UHFFFAOYSA-N
XLogP2.57
TPSA19.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.28
LogP ≤ 52.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 7-tert-butyl-1,4,5,6-tetrahydropyrrolo[2,3-b]pyridine?
The IUPAC name of 7-tert-butyl-1,4,5,6-tetrahydropyrrolo[2,3-b]pyridine (CID 146338933) is 7-tert-butyl-1,4,5,6-tetrahydropyrrolo[2,3-b]pyridine.
What is the SMILES notation for 7-tert-butyl-1,4,5,6-tetrahydropyrrolo[2,3-b]pyridine?
The canonical SMILES for 7-tert-butyl-1,4,5,6-tetrahydropyrrolo[2,3-b]pyridine is CC(C)(C)N1CCCc2cc[nH]c21.
What is the InChIKey of 7-tert-butyl-1,4,5,6-tetrahydropyrrolo[2,3-b]pyridine?
The InChIKey is MYWNZIACEDHURZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2/c1-11(2,3)13-8-4-5-9-6-7-12-10(9)13/h6-7,12H,4-5,8H2,1-3H3.
What are the key properties of 7-tert-butyl-1,4,5,6-tetrahydropyrrolo[2,3-b]pyridine?
7-tert-butyl-1,4,5,6-tetrahydropyrrolo[2,3-b]pyridine has a molecular weight of 178.28 g/mol, XLogP of 2.57, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 7-tert-butyl-1,4,5,6-tetrahydropyrrolo[2,3-b]pyridine is sourced from PubChem (CID 146338933), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).