3-[2-(1-methylpyrrolidin-2-yl)ethenyl]-5-phenylpyridine

C18H20N2 — CID 139948499

IUPAC3-[2-(1-methylpyrrolidin-2-yl)ethenyl]-5-phenylpyridine
SMILESCN1CCCC1C=Cc1cncc(-c2ccccc2)c1
InChIInChI=1S/C18H20N2/c1-20-11-5-8-18(20)10-9-15-12-17(14-19-13-15)16-6-3-2-4-7-16/h2-4,6-7,9-10,12-14,18H,5,8,11H2,1H3
InChIKeyDJLIZEDXMXFFED-UHFFFAOYSA-N
MW264.37 g/mol
LogP3.86
Rot. Bonds3

About 3-[2-(1-methylpyrrolidin-2-yl)ethenyl]-5-phenylpyridine

3-[2-(1-methylpyrrolidin-2-yl)ethenyl]-5-phenylpyridine (PubChem CID 139948499) has the molecular formula C18H20N2 and a molecular weight of 264.37 g/mol. Its IUPAC name is 3-[2-(1-methylpyrrolidin-2-yl)ethenyl]-5-phenylpyridine.

Molecular Properties

Compound Name3-[2-(1-methylpyrrolidin-2-yl)ethenyl]-5-phenylpyridine
PubChem CID139948499
Molecular FormulaC18H20N2
Molecular Weight264.37 g/mol
Exact Mass264.16
IUPAC Name3-[2-(1-methylpyrrolidin-2-yl)ethenyl]-5-phenylpyridine
SMILESCN1CCCC1C=Cc1cncc(-c2ccccc2)c1
InChIInChI=1S/C18H20N2/c1-20-11-5-8-18(20)10-9-15-12-17(14-19-13-15)16-6-3-2-4-7-16/h2-4,6-7,9-10,12-14,18H,5,8,11H2,1H3
InChIKeyDJLIZEDXMXFFED-UHFFFAOYSA-N
XLogP3.86
TPSA16.13 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.37
LogP ≤ 53.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-[2-(1-methylpyrrolidin-2-yl)ethenyl]-5-phenylpyridine?
The IUPAC name of 3-[2-(1-methylpyrrolidin-2-yl)ethenyl]-5-phenylpyridine (CID 139948499) is 3-[2-(1-methylpyrrolidin-2-yl)ethenyl]-5-phenylpyridine.
What is the SMILES notation for 3-[2-(1-methylpyrrolidin-2-yl)ethenyl]-5-phenylpyridine?
The canonical SMILES for 3-[2-(1-methylpyrrolidin-2-yl)ethenyl]-5-phenylpyridine is CN1CCCC1C=Cc1cncc(-c2ccccc2)c1.
What is the InChIKey of 3-[2-(1-methylpyrrolidin-2-yl)ethenyl]-5-phenylpyridine?
The InChIKey is DJLIZEDXMXFFED-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N2/c1-20-11-5-8-18(20)10-9-15-12-17(14-19-13-15)16-6-3-2-4-7-16/h2-4,6-7,9-10,12-14,18H,5,8,11H2,1H3.
What are the key properties of 3-[2-(1-methylpyrrolidin-2-yl)ethenyl]-5-phenylpyridine?
3-[2-(1-methylpyrrolidin-2-yl)ethenyl]-5-phenylpyridine has a molecular weight of 264.37 g/mol, XLogP of 3.86, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(1-methylpyrrolidin-2-yl)ethenyl]-5-phenylpyridine is sourced from PubChem (CID 139948499), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).