1-[1-(2-methoxyphenyl)ethenyl]pyridin-1-ium

C14H14NO+ — CID 67753727

IUPAC1-[1-(2-methoxyphenyl)ethenyl]pyridin-1-ium
SMILESC=C(c1ccccc1OC)[n+]1ccccc1
InChIInChI=1S/C14H14NO/c1-12(15-10-6-3-7-11-15)13-8-4-5-9-14(13)16-2/h3-11H,1H2,2H3/q+1
InChIKeySZAYIHQYECEJTO-UHFFFAOYSA-N
MW212.27 g/mol
LogP2.50
Rot. Bonds3

About 1-[1-(2-methoxyphenyl)ethenyl]pyridin-1-ium

1-[1-(2-methoxyphenyl)ethenyl]pyridin-1-ium (PubChem CID 67753727) has the molecular formula C14H14NO+ and a molecular weight of 212.27 g/mol. Its IUPAC name is 1-[1-(2-methoxyphenyl)ethenyl]pyridin-1-ium.

Molecular Properties

Compound Name1-[1-(2-methoxyphenyl)ethenyl]pyridin-1-ium
PubChem CID67753727
Molecular FormulaC14H14NO+
Molecular Weight212.27 g/mol
Exact Mass212.11
IUPAC Name1-[1-(2-methoxyphenyl)ethenyl]pyridin-1-ium
SMILESC=C(c1ccccc1OC)[n+]1ccccc1
InChIInChI=1S/C14H14NO/c1-12(15-10-6-3-7-11-15)13-8-4-5-9-14(13)16-2/h3-11H,1H2,2H3/q+1
InChIKeySZAYIHQYECEJTO-UHFFFAOYSA-N
XLogP2.50
TPSA13.11 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.27
LogP ≤ 52.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

1-methoxy-2-[1-[1-(2-methoxyphenyl)ethenoxy]ethenyl]benzene
CID 69260601
formaldehyde;bis(1-(2-methoxyphenyl)ethanone)
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2-(2-methoxyphenyl)prop-2-enamide
CID 67011938
1-[(E)-1,2-diiodo-2-phenylethenyl]-2-methoxybenzene
CID 122376703
1-(2-methoxyphenyl)-3-phenylbut-3-en-1-one
CID 67489510
3-[1-(2-methoxyphenyl)ethenyl]pyridine
CID 146574086
1,5-dimethoxy-2,4-bis[1-(4-phenylphenyl)ethenyl]benzene
CID 132542324
1,3-bis(2-methoxyphenyl)propane-1,3-dione
CID 15664665
2-methoxybenzoyl iodide
CID 139677083
CID 135043978
CID 135043978
2-methoxybenzoic acid;bis(propan-2-ol)
CID 130236181
(E)-2-hydroxy-1,2-bis(2-methoxyphenyl)ethenediazonium
CID 11022356

Frequently Asked Questions

What is the IUPAC name of 1-[1-(2-methoxyphenyl)ethenyl]pyridin-1-ium?
The IUPAC name of 1-[1-(2-methoxyphenyl)ethenyl]pyridin-1-ium (CID 67753727) is 1-[1-(2-methoxyphenyl)ethenyl]pyridin-1-ium.
What is the SMILES notation for 1-[1-(2-methoxyphenyl)ethenyl]pyridin-1-ium?
The canonical SMILES for 1-[1-(2-methoxyphenyl)ethenyl]pyridin-1-ium is C=C(c1ccccc1OC)[n+]1ccccc1.
What is the InChIKey of 1-[1-(2-methoxyphenyl)ethenyl]pyridin-1-ium?
The InChIKey is SZAYIHQYECEJTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14NO/c1-12(15-10-6-3-7-11-15)13-8-4-5-9-14(13)16-2/h3-11H,1H2,2H3/q+1.
What are the key properties of 1-[1-(2-methoxyphenyl)ethenyl]pyridin-1-ium?
1-[1-(2-methoxyphenyl)ethenyl]pyridin-1-ium has a molecular weight of 212.27 g/mol, XLogP of 2.50, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(2-methoxyphenyl)ethenyl]pyridin-1-ium is sourced from PubChem (CID 67753727), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).