5-methyl-2-[(Z)-2-naphthalen-1-ylethenyl]-4-pyrrolidin-1-ylpyridine;hydrochloride

C22H23ClN2 — CID 14441254

IUPAC5-methyl-2-[(Z)-2-naphthalen-1-ylethenyl]-4-pyrrolidin-1-ylpyridine;hydrochloride
SMILESCc1cnc(/C=C\c2cccc3ccccc23)cc1N1CCCC1.Cl
InChIInChI=1S/C22H22N2.ClH/c1-17-16-23-20(15-22(17)24-13-4-5-14-24)12-11-19-9-6-8-18-7-2-3-10-21(18)19;/h2-3,6-12,15-16H,4-5,13-14H2,1H3;1H/b12-11-;
InChIKeySTMIJHGQVVJWQK-AFEZEDKISA-N
MW350.89 g/mol
LogP5.74
Rot. Bonds3

About 5-methyl-2-[(Z)-2-naphthalen-1-ylethenyl]-4-pyrrolidin-1-ylpyridine;hydrochloride

5-methyl-2-[(Z)-2-naphthalen-1-ylethenyl]-4-pyrrolidin-1-ylpyridine;hydrochloride (PubChem CID 14441254) has the molecular formula C22H23ClN2 and a molecular weight of 350.89 g/mol. Its IUPAC name is 5-methyl-2-[(Z)-2-naphthalen-1-ylethenyl]-4-pyrrolidin-1-ylpyridine;hydrochloride.

Molecular Properties

Compound Name5-methyl-2-[(Z)-2-naphthalen-1-ylethenyl]-4-pyrrolidin-1-ylpyridine;hydrochloride
PubChem CID14441254
Molecular FormulaC22H23ClN2
Molecular Weight350.89 g/mol
Exact Mass350.15
IUPAC Name5-methyl-2-[(Z)-2-naphthalen-1-ylethenyl]-4-pyrrolidin-1-ylpyridine;hydrochloride
SMILESCc1cnc(/C=C\c2cccc3ccccc23)cc1N1CCCC1.Cl
InChIInChI=1S/C22H22N2.ClH/c1-17-16-23-20(15-22(17)24-13-4-5-14-24)12-11-19-9-6-8-18-7-2-3-10-21(18)19;/h2-3,6-12,15-16H,4-5,13-14H2,1H3;1H/b12-11-;
InChIKeySTMIJHGQVVJWQK-AFEZEDKISA-N
XLogP5.74
TPSA16.13 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500350.89
LogP ≤ 55.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-methyl-2-[(Z)-2-naphthalen-1-ylethenyl]-4-pyrrolidin-1-ylpyridine;hydrochloride?
The IUPAC name of 5-methyl-2-[(Z)-2-naphthalen-1-ylethenyl]-4-pyrrolidin-1-ylpyridine;hydrochloride (CID 14441254) is 5-methyl-2-[(Z)-2-naphthalen-1-ylethenyl]-4-pyrrolidin-1-ylpyridine;hydrochloride.
What is the SMILES notation for 5-methyl-2-[(Z)-2-naphthalen-1-ylethenyl]-4-pyrrolidin-1-ylpyridine;hydrochloride?
The canonical SMILES for 5-methyl-2-[(Z)-2-naphthalen-1-ylethenyl]-4-pyrrolidin-1-ylpyridine;hydrochloride is Cc1cnc(/C=C\c2cccc3ccccc23)cc1N1CCCC1.Cl.
What is the InChIKey of 5-methyl-2-[(Z)-2-naphthalen-1-ylethenyl]-4-pyrrolidin-1-ylpyridine;hydrochloride?
The InChIKey is STMIJHGQVVJWQK-AFEZEDKISA-N. The full InChI is InChI=1S/C22H22N2.ClH/c1-17-16-23-20(15-22(17)24-13-4-5-14-24)12-11-19-9-6-8-18-7-2-3-10-21(18)19;/h2-3,6-12,15-16H,4-5,13-14H2,1H3;1H/b12-11-;.
What are the key properties of 5-methyl-2-[(Z)-2-naphthalen-1-ylethenyl]-4-pyrrolidin-1-ylpyridine;hydrochloride?
5-methyl-2-[(Z)-2-naphthalen-1-ylethenyl]-4-pyrrolidin-1-ylpyridine;hydrochloride has a molecular weight of 350.89 g/mol, XLogP of 5.74, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-2-[(Z)-2-naphthalen-1-ylethenyl]-4-pyrrolidin-1-ylpyridine;hydrochloride is sourced from PubChem (CID 14441254), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).