5-ethenyl-1-(4-methylphenyl)pyrrolo[2,3-b]pyridine;1-methylpyrrolidine

C21H25N3 — CID 176661519

IUPAC5-ethenyl-1-(4-methylphenyl)pyrrolo[2,3-b]pyridine;1-methylpyrrolidine
SMILESC=Cc1cnc2c(ccn2-c2ccc(C)cc2)c1.CN1CCCC1
InChIInChI=1S/C16H14N2.C5H11N/c1-3-13-10-14-8-9-18(16(14)17-11-13)15-6-4-12(2)5-7-15;1-6-4-2-3-5-6/h3-11H,1H2,2H3;2-5H2,1H3
InChIKeyQEFRHFYOBGNHSU-UHFFFAOYSA-N
MW319.45 g/mol
LogP4.69
Rot. Bonds2

About 5-ethenyl-1-(4-methylphenyl)pyrrolo[2,3-b]pyridine;1-methylpyrrolidine

5-ethenyl-1-(4-methylphenyl)pyrrolo[2,3-b]pyridine;1-methylpyrrolidine (PubChem CID 176661519) has the molecular formula C21H25N3 and a molecular weight of 319.45 g/mol. Its IUPAC name is 5-ethenyl-1-(4-methylphenyl)pyrrolo[2,3-b]pyridine;1-methylpyrrolidine.

Molecular Properties

Compound Name5-ethenyl-1-(4-methylphenyl)pyrrolo[2,3-b]pyridine;1-methylpyrrolidine
PubChem CID176661519
Molecular FormulaC21H25N3
Molecular Weight319.45 g/mol
Exact Mass319.20
IUPAC Name5-ethenyl-1-(4-methylphenyl)pyrrolo[2,3-b]pyridine;1-methylpyrrolidine
SMILESC=Cc1cnc2c(ccn2-c2ccc(C)cc2)c1.CN1CCCC1
InChIInChI=1S/C16H14N2.C5H11N/c1-3-13-10-14-8-9-18(16(14)17-11-13)15-6-4-12(2)5-7-15;1-6-4-2-3-5-6/h3-11H,1H2,2H3;2-5H2,1H3
InChIKeyQEFRHFYOBGNHSU-UHFFFAOYSA-N
XLogP4.69
TPSA21.06 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.45
LogP ≤ 54.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-ethenyl-1-(4-methylphenyl)pyrrolo[2,3-b]pyridine;1-methylpyrrolidine?
The IUPAC name of 5-ethenyl-1-(4-methylphenyl)pyrrolo[2,3-b]pyridine;1-methylpyrrolidine (CID 176661519) is 5-ethenyl-1-(4-methylphenyl)pyrrolo[2,3-b]pyridine;1-methylpyrrolidine.
What is the SMILES notation for 5-ethenyl-1-(4-methylphenyl)pyrrolo[2,3-b]pyridine;1-methylpyrrolidine?
The canonical SMILES for 5-ethenyl-1-(4-methylphenyl)pyrrolo[2,3-b]pyridine;1-methylpyrrolidine is C=Cc1cnc2c(ccn2-c2ccc(C)cc2)c1.CN1CCCC1.
What is the InChIKey of 5-ethenyl-1-(4-methylphenyl)pyrrolo[2,3-b]pyridine;1-methylpyrrolidine?
The InChIKey is QEFRHFYOBGNHSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14N2.C5H11N/c1-3-13-10-14-8-9-18(16(14)17-11-13)15-6-4-12(2)5-7-15;1-6-4-2-3-5-6/h3-11H,1H2,2H3;2-5H2,1H3.
What are the key properties of 5-ethenyl-1-(4-methylphenyl)pyrrolo[2,3-b]pyridine;1-methylpyrrolidine?
5-ethenyl-1-(4-methylphenyl)pyrrolo[2,3-b]pyridine;1-methylpyrrolidine has a molecular weight of 319.45 g/mol, XLogP of 4.69, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethenyl-1-(4-methylphenyl)pyrrolo[2,3-b]pyridine;1-methylpyrrolidine is sourced from PubChem (CID 176661519), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).