3-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]-5-[(E)-2-phenylethenyl]pyridine;dihydrochloride

C19H24Cl2N2O — CID 22872690

IUPAC3-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]-5-[(E)-2-phenylethenyl]pyridine;dihydrochloride
SMILESCN1CCC[C@H]1COc1cncc(/C=C/c2ccccc2)c1.Cl.Cl
InChIInChI=1S/C19H22N2O.2ClH/c1-21-11-5-8-18(21)15-22-19-12-17(13-20-14-19)10-9-16-6-3-2-4-7-16;;/h2-4,6-7,9-10,12-14,18H,5,8,11,15H2,1H3;2*1H/b10-9+;;/t18-;;/m0../s1
InChIKeyGXGNTHKERVGIMG-VEICTDGMSA-N
MW367.32 g/mol
LogP4.57
Rot. Bonds5

About 3-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]-5-[(E)-2-phenylethenyl]pyridine;dihydrochloride

3-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]-5-[(E)-2-phenylethenyl]pyridine;dihydrochloride (PubChem CID 22872690) has the molecular formula C19H24Cl2N2O and a molecular weight of 367.32 g/mol. Its IUPAC name is 3-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]-5-[(E)-2-phenylethenyl]pyridine;dihydrochloride.

Molecular Properties

Compound Name3-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]-5-[(E)-2-phenylethenyl]pyridine;dihydrochloride
PubChem CID22872690
Molecular FormulaC19H24Cl2N2O
Molecular Weight367.32 g/mol
Exact Mass366.13
IUPAC Name3-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]-5-[(E)-2-phenylethenyl]pyridine;dihydrochloride
SMILESCN1CCC[C@H]1COc1cncc(/C=C/c2ccccc2)c1.Cl.Cl
InChIInChI=1S/C19H22N2O.2ClH/c1-21-11-5-8-18(21)15-22-19-12-17(13-20-14-19)10-9-16-6-3-2-4-7-16;;/h2-4,6-7,9-10,12-14,18H,5,8,11,15H2,1H3;2*1H/b10-9+;;/t18-;;/m0../s1
InChIKeyGXGNTHKERVGIMG-VEICTDGMSA-N
XLogP4.57
TPSA25.36 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.32
LogP ≤ 54.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]-5-[(E)-2-phenylethenyl]pyridine;dihydrochloride?
The IUPAC name of 3-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]-5-[(E)-2-phenylethenyl]pyridine;dihydrochloride (CID 22872690) is 3-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]-5-[(E)-2-phenylethenyl]pyridine;dihydrochloride.
What is the SMILES notation for 3-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]-5-[(E)-2-phenylethenyl]pyridine;dihydrochloride?
The canonical SMILES for 3-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]-5-[(E)-2-phenylethenyl]pyridine;dihydrochloride is CN1CCC[C@H]1COc1cncc(/C=C/c2ccccc2)c1.Cl.Cl.
What is the InChIKey of 3-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]-5-[(E)-2-phenylethenyl]pyridine;dihydrochloride?
The InChIKey is GXGNTHKERVGIMG-VEICTDGMSA-N. The full InChI is InChI=1S/C19H22N2O.2ClH/c1-21-11-5-8-18(21)15-22-19-12-17(13-20-14-19)10-9-16-6-3-2-4-7-16;;/h2-4,6-7,9-10,12-14,18H,5,8,11,15H2,1H3;2*1H/b10-9+;;/t18-;;/m0../s1.
What are the key properties of 3-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]-5-[(E)-2-phenylethenyl]pyridine;dihydrochloride?
3-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]-5-[(E)-2-phenylethenyl]pyridine;dihydrochloride has a molecular weight of 367.32 g/mol, XLogP of 4.57, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]-5-[(E)-2-phenylethenyl]pyridine;dihydrochloride is sourced from PubChem (CID 22872690), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).