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

C21H24FN3 — CID 176715676

IUPAC1-ethenyl-3-fluoropyrrolidine;5-methyl-1-(4-methylphenyl)pyrrolo[2,3-b]pyridine
SMILESC=CN1CCC(F)C1.Cc1ccc(-n2ccc3cc(C)cnc32)cc1
InChIInChI=1S/C15H14N2.C6H10FN/c1-11-3-5-14(6-4-11)17-8-7-13-9-12(2)10-16-15(13)17;1-2-8-4-3-6(7)5-8/h3-10H,1-2H3;2,6H,1,3-5H2
InChIKeyZZJJBDUAKOPZKO-UHFFFAOYSA-N
MW337.44 g/mol
LogP4.82
Rot. Bonds2

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

1-ethenyl-3-fluoropyrrolidine;5-methyl-1-(4-methylphenyl)pyrrolo[2,3-b]pyridine (PubChem CID 176715676) has the molecular formula C21H24FN3 and a molecular weight of 337.44 g/mol. Its IUPAC name is 1-ethenyl-3-fluoropyrrolidine;5-methyl-1-(4-methylphenyl)pyrrolo[2,3-b]pyridine.

Molecular Properties

Compound Name1-ethenyl-3-fluoropyrrolidine;5-methyl-1-(4-methylphenyl)pyrrolo[2,3-b]pyridine
PubChem CID176715676
Molecular FormulaC21H24FN3
Molecular Weight337.44 g/mol
Exact Mass337.20
IUPAC Name1-ethenyl-3-fluoropyrrolidine;5-methyl-1-(4-methylphenyl)pyrrolo[2,3-b]pyridine
SMILESC=CN1CCC(F)C1.Cc1ccc(-n2ccc3cc(C)cnc32)cc1
InChIInChI=1S/C15H14N2.C6H10FN/c1-11-3-5-14(6-4-11)17-8-7-13-9-12(2)10-16-15(13)17;1-2-8-4-3-6(7)5-8/h3-10H,1-2H3;2,6H,1,3-5H2
InChIKeyZZJJBDUAKOPZKO-UHFFFAOYSA-N
XLogP4.82
TPSA21.06 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.44
LogP ≤ 54.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 1-ethenyl-3-fluoropyrrolidine;5-methyl-1-(4-methylphenyl)pyrrolo[2,3-b]pyridine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-ethenyl-3-fluoropyrrolidine;5-methyl-1-(4-methylphenyl)pyrrolo[2,3-b]pyridine?
The IUPAC name of 1-ethenyl-3-fluoropyrrolidine;5-methyl-1-(4-methylphenyl)pyrrolo[2,3-b]pyridine (CID 176715676) is 1-ethenyl-3-fluoropyrrolidine;5-methyl-1-(4-methylphenyl)pyrrolo[2,3-b]pyridine.
What is the SMILES notation for 1-ethenyl-3-fluoropyrrolidine;5-methyl-1-(4-methylphenyl)pyrrolo[2,3-b]pyridine?
The canonical SMILES for 1-ethenyl-3-fluoropyrrolidine;5-methyl-1-(4-methylphenyl)pyrrolo[2,3-b]pyridine is C=CN1CCC(F)C1.Cc1ccc(-n2ccc3cc(C)cnc32)cc1.
What is the InChIKey of 1-ethenyl-3-fluoropyrrolidine;5-methyl-1-(4-methylphenyl)pyrrolo[2,3-b]pyridine?
The InChIKey is ZZJJBDUAKOPZKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N2.C6H10FN/c1-11-3-5-14(6-4-11)17-8-7-13-9-12(2)10-16-15(13)17;1-2-8-4-3-6(7)5-8/h3-10H,1-2H3;2,6H,1,3-5H2.
What are the key properties of 1-ethenyl-3-fluoropyrrolidine;5-methyl-1-(4-methylphenyl)pyrrolo[2,3-b]pyridine?
1-ethenyl-3-fluoropyrrolidine;5-methyl-1-(4-methylphenyl)pyrrolo[2,3-b]pyridine has a molecular weight of 337.44 g/mol, XLogP of 4.82, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethenyl-3-fluoropyrrolidine;5-methyl-1-(4-methylphenyl)pyrrolo[2,3-b]pyridine is sourced from PubChem (CID 176715676), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).