6-ethyl-1-propan-2-ylpyrrolo[2,3-b]pyridine

C12H16N2 — CID 153335080

IUPAC6-ethyl-1-propan-2-ylpyrrolo[2,3-b]pyridine
SMILESCCc1ccc2ccn(C(C)C)c2n1
InChIInChI=1S/C12H16N2/c1-4-11-6-5-10-7-8-14(9(2)3)12(10)13-11/h5-9H,4H2,1-3H3
InChIKeyJRQHYWLLZBFRSC-UHFFFAOYSA-N
MW188.27 g/mol
LogP3.18
Rot. Bonds2

About 6-ethyl-1-propan-2-ylpyrrolo[2,3-b]pyridine

6-ethyl-1-propan-2-ylpyrrolo[2,3-b]pyridine (PubChem CID 153335080) has the molecular formula C12H16N2 and a molecular weight of 188.27 g/mol. Its IUPAC name is 6-ethyl-1-propan-2-ylpyrrolo[2,3-b]pyridine.

Molecular Properties

Compound Name6-ethyl-1-propan-2-ylpyrrolo[2,3-b]pyridine
PubChem CID153335080
Molecular FormulaC12H16N2
Molecular Weight188.27 g/mol
Exact Mass188.13
IUPAC Name6-ethyl-1-propan-2-ylpyrrolo[2,3-b]pyridine
SMILESCCc1ccc2ccn(C(C)C)c2n1
InChIInChI=1S/C12H16N2/c1-4-11-6-5-10-7-8-14(9(2)3)12(10)13-11/h5-9H,4H2,1-3H3
InChIKeyJRQHYWLLZBFRSC-UHFFFAOYSA-N
XLogP3.18
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.27
LogP ≤ 53.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 6-ethyl-1-propan-2-ylpyrrolo[2,3-b]pyridine?
The IUPAC name of 6-ethyl-1-propan-2-ylpyrrolo[2,3-b]pyridine (CID 153335080) is 6-ethyl-1-propan-2-ylpyrrolo[2,3-b]pyridine.
What is the SMILES notation for 6-ethyl-1-propan-2-ylpyrrolo[2,3-b]pyridine?
The canonical SMILES for 6-ethyl-1-propan-2-ylpyrrolo[2,3-b]pyridine is CCc1ccc2ccn(C(C)C)c2n1.
What is the InChIKey of 6-ethyl-1-propan-2-ylpyrrolo[2,3-b]pyridine?
The InChIKey is JRQHYWLLZBFRSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2/c1-4-11-6-5-10-7-8-14(9(2)3)12(10)13-11/h5-9H,4H2,1-3H3.
What are the key properties of 6-ethyl-1-propan-2-ylpyrrolo[2,3-b]pyridine?
6-ethyl-1-propan-2-ylpyrrolo[2,3-b]pyridine has a molecular weight of 188.27 g/mol, XLogP of 3.18, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-ethyl-1-propan-2-ylpyrrolo[2,3-b]pyridine is sourced from PubChem (CID 153335080), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).