4-[(Z)-but-2-en-2-yl]-3-ethenyl-1-methylpyridin-1-ium

C12H16N+ — CID 145169346

IUPAC4-[(Z)-but-2-en-2-yl]-3-ethenyl-1-methylpyridin-1-ium
SMILESC=Cc1c[n+](C)ccc1/C(C)=C\C
InChIInChI=1S/C12H16N/c1-5-10(3)12-7-8-13(4)9-11(12)6-2/h5-9H,2H2,1,3-4H3/q+1/b10-5-
InChIKeyKWOQYRYRHBXEEV-YHYXMXQVSA-N
MW174.27 g/mol
LogP2.58
Rot. Bonds2

About 4-[(Z)-but-2-en-2-yl]-3-ethenyl-1-methylpyridin-1-ium

4-[(Z)-but-2-en-2-yl]-3-ethenyl-1-methylpyridin-1-ium (PubChem CID 145169346) has the molecular formula C12H16N+ and a molecular weight of 174.27 g/mol. Its IUPAC name is 4-[(Z)-but-2-en-2-yl]-3-ethenyl-1-methylpyridin-1-ium.

Molecular Properties

Compound Name4-[(Z)-but-2-en-2-yl]-3-ethenyl-1-methylpyridin-1-ium
PubChem CID145169346
Molecular FormulaC12H16N+
Molecular Weight174.27 g/mol
Exact Mass174.13
IUPAC Name4-[(Z)-but-2-en-2-yl]-3-ethenyl-1-methylpyridin-1-ium
SMILESC=Cc1c[n+](C)ccc1/C(C)=C\C
InChIInChI=1S/C12H16N/c1-5-10(3)12-7-8-13(4)9-11(12)6-2/h5-9H,2H2,1,3-4H3/q+1/b10-5-
InChIKeyKWOQYRYRHBXEEV-YHYXMXQVSA-N
XLogP2.58
TPSA3.88 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.27
LogP ≤ 52.58
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

3-[(Z)-but-2-en-2-yl]-4-ethenylphenol
CID 89213419
3-[(1Z)-buta-1,3-dienyl]-1-[(Z)-but-2-en-2-yl]-4-ethenyl-2-[(Z)-prop-1-enyl]benzene
CID 174358180
1-[(Z)-but-2-en-2-yl]-2,4-dimethylbenzene;prop-1-ene
CID 143717580
1,2-bis(ethenyl)-3-[(2E,4Z)-hepta-2,4,6-trien-2-yl]benzene
CID 142381908
bis(4-ethenyl-1-methylpyridin-1-ium);2-methylbut-2-enoate;iodide
CID 67203950
1-[(E)-but-2-en-2-yl]-4-ethylbenzene
CID 19784779
1-[4-ethenyl-3-[(Z)-prop-1-enyl]phenyl]ethanone
CID 143306088
3-(aziridin-2-yl)-4,5-bis(ethenyl)-1-methylpyridin-1-ium
CID 155692742
1-[(Z)-but-2-en-2-yl]-4,5-difluoro-2-methylbenzene
CID 167205018
1,4-bis(ethenyl)-2,3-dimethylbenzene;dihydrate
CID 134586687
1-[(Z)-but-2-en-2-yl]-2-ethenoxybenzene
CID 143337397
2-[(Z)-but-2-en-2-yl]-1-ethenyl-4-fluoro-3-methylbenzene;ethane;methanol
CID 171786078

Frequently Asked Questions

What is the IUPAC name of 4-[(Z)-but-2-en-2-yl]-3-ethenyl-1-methylpyridin-1-ium?
The IUPAC name of 4-[(Z)-but-2-en-2-yl]-3-ethenyl-1-methylpyridin-1-ium (CID 145169346) is 4-[(Z)-but-2-en-2-yl]-3-ethenyl-1-methylpyridin-1-ium.
What is the SMILES notation for 4-[(Z)-but-2-en-2-yl]-3-ethenyl-1-methylpyridin-1-ium?
The canonical SMILES for 4-[(Z)-but-2-en-2-yl]-3-ethenyl-1-methylpyridin-1-ium is C=Cc1c[n+](C)ccc1/C(C)=C\C.
What is the InChIKey of 4-[(Z)-but-2-en-2-yl]-3-ethenyl-1-methylpyridin-1-ium?
The InChIKey is KWOQYRYRHBXEEV-YHYXMXQVSA-N. The full InChI is InChI=1S/C12H16N/c1-5-10(3)12-7-8-13(4)9-11(12)6-2/h5-9H,2H2,1,3-4H3/q+1/b10-5-.
What are the key properties of 4-[(Z)-but-2-en-2-yl]-3-ethenyl-1-methylpyridin-1-ium?
4-[(Z)-but-2-en-2-yl]-3-ethenyl-1-methylpyridin-1-ium has a molecular weight of 174.27 g/mol, XLogP of 2.58, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(Z)-but-2-en-2-yl]-3-ethenyl-1-methylpyridin-1-ium is sourced from PubChem (CID 145169346), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).