1-methyl-4-[(E)-2-naphthalen-2-ylethenyl]pyridin-1-ium

C18H16N+ — CID 14927354

IUPAC1-methyl-4-[(E)-2-naphthalen-2-ylethenyl]pyridin-1-ium
SMILESC[N+]1=CC=C(C=C1)/C=C/C2=CC3=CC=CC=C3C=C2
InChIInChI=1S/C18H16N/c1-19-12-10-15(11-13-19)6-7-16-8-9-17-4-2-3-5-18(17)14-16/h2-14H,1H3/q+1/b7-6+
InChIKeyFSJHKYCCUKGKLN-VOTSOKGWSA-N
MW246.30 g/mol
LogP4.50
Rot. Bonds2

About 1-methyl-4-[(E)-2-naphthalen-2-ylethenyl]pyridin-1-ium

1-methyl-4-[(E)-2-naphthalen-2-ylethenyl]pyridin-1-ium (PubChem CID 14927354) has the molecular formula C18H16N+ and a molecular weight of 246.30 g/mol. Its IUPAC name is 1-methyl-4-[(E)-2-naphthalen-2-ylethenyl]pyridin-1-ium.

Molecular Properties

Compound Name1-methyl-4-[(E)-2-naphthalen-2-ylethenyl]pyridin-1-ium
PubChem CID14927354
Molecular FormulaC18H16N+
Molecular Weight246.30 g/mol
Exact Mass246.13
IUPAC Name1-methyl-4-[(E)-2-naphthalen-2-ylethenyl]pyridin-1-ium
SMILESC[N+]1=CC=C(C=C1)/C=C/C2=CC3=CC=CC=C3C=C2
InChIInChI=1S/C18H16N/c1-19-12-10-15(11-13-19)6-7-16-8-9-17-4-2-3-5-18(17)14-16/h2-14H,1H3/q+1/b7-6+
InChIKeyFSJHKYCCUKGKLN-VOTSOKGWSA-N
XLogP4.50
TPSA3.90 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms19
Complexity301

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.30
LogP ≤ 54.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

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Related Compounds

Isoquinoline
CID 8405
4-Phenylpyridine
CID 13651
Lauryl Isoquinolinium Bromide
CID 7132
3-Phenylpyridine
CID 13886
4-(3-Phenylpropyl)pyridine
CID 74937
4-Benzylpyridine
CID 16458
1-Methyl-4-phenylpyridinium
CID 39484
3-Benzhydrylpyridine
CID 77251
Benzo(h)quinoline
CID 9191
4-Benzhydrylpyridine
CID 77252
4-Chlorobenzo(f)isoquinoline
CID 11401613
Benzylviologen
CID 14196

Frequently Asked Questions

What is the IUPAC name of 1-methyl-4-[(E)-2-naphthalen-2-ylethenyl]pyridin-1-ium?
The IUPAC name of 1-methyl-4-[(E)-2-naphthalen-2-ylethenyl]pyridin-1-ium (CID 14927354) is 1-methyl-4-[(E)-2-naphthalen-2-ylethenyl]pyridin-1-ium.
What is the SMILES notation for 1-methyl-4-[(E)-2-naphthalen-2-ylethenyl]pyridin-1-ium?
The canonical SMILES for 1-methyl-4-[(E)-2-naphthalen-2-ylethenyl]pyridin-1-ium is C[N+]1=CC=C(C=C1)/C=C/C2=CC3=CC=CC=C3C=C2.
What is the InChIKey of 1-methyl-4-[(E)-2-naphthalen-2-ylethenyl]pyridin-1-ium?
The InChIKey is FSJHKYCCUKGKLN-VOTSOKGWSA-N. The full InChI is InChI=1S/C18H16N/c1-19-12-10-15(11-13-19)6-7-16-8-9-17-4-2-3-5-18(17)14-16/h2-14H,1H3/q+1/b7-6+.
What are the key properties of 1-methyl-4-[(E)-2-naphthalen-2-ylethenyl]pyridin-1-ium?
1-methyl-4-[(E)-2-naphthalen-2-ylethenyl]pyridin-1-ium has a molecular weight of 246.30 g/mol, XLogP of 4.50, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-4-[(E)-2-naphthalen-2-ylethenyl]pyridin-1-ium is sourced from PubChem (CID 14927354), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).