5-ethyl-2,3,5,6-tetrahydro-1H-pyrrolo[2,3-b]pyridine

C9H14N2 — CID 89260422

IUPAC5-ethyl-2,3,5,6-tetrahydro-1H-pyrrolo[2,3-b]pyridine
SMILESCCC1C=C2CCNC2=NC1
InChIInChI=1S/C9H14N2/c1-2-7-5-8-3-4-10-9(8)11-6-7/h5,7H,2-4,6H2,1H3,(H,10,11)
InChIKeyYWYUISPKSSNTTN-UHFFFAOYSA-N
MW150.22 g/mol
LogP1.34
Rot. Bonds1

About 5-ethyl-2,3,5,6-tetrahydro-1H-pyrrolo[2,3-b]pyridine

5-ethyl-2,3,5,6-tetrahydro-1H-pyrrolo[2,3-b]pyridine (PubChem CID 89260422) has the molecular formula C9H14N2 and a molecular weight of 150.22 g/mol. Its IUPAC name is 5-ethyl-2,3,5,6-tetrahydro-1H-pyrrolo[2,3-b]pyridine.

Molecular Properties

Compound Name5-ethyl-2,3,5,6-tetrahydro-1H-pyrrolo[2,3-b]pyridine
PubChem CID89260422
Molecular FormulaC9H14N2
Molecular Weight150.22 g/mol
Exact Mass150.12
IUPAC Name5-ethyl-2,3,5,6-tetrahydro-1H-pyrrolo[2,3-b]pyridine
SMILESCCC1C=C2CCNC2=NC1
InChIInChI=1S/C9H14N2/c1-2-7-5-8-3-4-10-9(8)11-6-7/h5,7H,2-4,6H2,1H3,(H,10,11)
InChIKeyYWYUISPKSSNTTN-UHFFFAOYSA-N
XLogP1.34
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500150.22
LogP ≤ 51.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-ethyl-2,3,5,6-tetrahydro-1H-pyrrolo[2,3-b]pyridine?
The IUPAC name of 5-ethyl-2,3,5,6-tetrahydro-1H-pyrrolo[2,3-b]pyridine (CID 89260422) is 5-ethyl-2,3,5,6-tetrahydro-1H-pyrrolo[2,3-b]pyridine.
What is the SMILES notation for 5-ethyl-2,3,5,6-tetrahydro-1H-pyrrolo[2,3-b]pyridine?
The canonical SMILES for 5-ethyl-2,3,5,6-tetrahydro-1H-pyrrolo[2,3-b]pyridine is CCC1C=C2CCNC2=NC1.
What is the InChIKey of 5-ethyl-2,3,5,6-tetrahydro-1H-pyrrolo[2,3-b]pyridine?
The InChIKey is YWYUISPKSSNTTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N2/c1-2-7-5-8-3-4-10-9(8)11-6-7/h5,7H,2-4,6H2,1H3,(H,10,11).
What are the key properties of 5-ethyl-2,3,5,6-tetrahydro-1H-pyrrolo[2,3-b]pyridine?
5-ethyl-2,3,5,6-tetrahydro-1H-pyrrolo[2,3-b]pyridine has a molecular weight of 150.22 g/mol, XLogP of 1.34, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-2,3,5,6-tetrahydro-1H-pyrrolo[2,3-b]pyridine is sourced from PubChem (CID 89260422), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).