1-ethenyl-3-pentylimidazol-3-ium chloride

C10H17ClN2 — CID 172560941

IUPAC1-ethenyl-3-pentylimidazol-3-ium chloride
SMILESC=Cn1cc[n+](CCCCC)c1.[Cl-]
InChIInChI=1S/C10H17N2.ClH/c1-3-5-6-7-12-9-8-11(4-2)10-12;/h4,8-10H,2-3,5-7H2,1H3;1H/q+1;/p-1
InChIKeyMKCDGFPKMXXGHF-UHFFFAOYSA-M
MW200.71 g/mol
LogP-0.93
Rot. Bonds5

About 1-ethenyl-3-pentylimidazol-3-ium chloride

1-ethenyl-3-pentylimidazol-3-ium chloride (PubChem CID 172560941) has the molecular formula C10H17ClN2 and a molecular weight of 200.71 g/mol. Its IUPAC name is 1-ethenyl-3-pentylimidazol-3-ium chloride.

Molecular Properties

Compound Name1-ethenyl-3-pentylimidazol-3-ium chloride
PubChem CID172560941
Molecular FormulaC10H17ClN2
Molecular Weight200.71 g/mol
Exact Mass200.11
IUPAC Name1-ethenyl-3-pentylimidazol-3-ium chloride
SMILESC=Cn1cc[n+](CCCCC)c1.[Cl-]
InChIInChI=1S/C10H17N2.ClH/c1-3-5-6-7-12-9-8-11(4-2)10-12;/h4,8-10H,2-3,5-7H2,1H3;1H/q+1;/p-1
InChIKeyMKCDGFPKMXXGHF-UHFFFAOYSA-M
XLogP-0.93
TPSA8.81 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.71
LogP ≤ 5-0.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

1-ethenyl-3-undecylimidazol-3-ium
CID 90886858
1-ethenyl-3-hexadecylimidazol-3-ium;trifluoromethanesulfonate
CID 156755258
bis(trifluoromethylsulfonyl)azanide;1-ethenyl-3-heptadecylimidazol-3-ium
CID 156755275
1-ethenyl-3-[5-(3-ethenylimidazol-1-ium-1-yl)pentyl]imidazol-3-ium dihexafluorophosphate
CID 170460034
5-(3-ethenylimidazol-1-ium-1-yl)pentanoic acid
CID 122390303
2-(3-ethenylimidazol-1-ium-1-yl)ethanol
CID 14366476
1-octyl-3-prop-2-enylimidazol-1-ium
CID 58704002
anilinomethanesulfonate;1-butyl-3-ethenylimidazol-1-ium
CID 160790324
1-butyl-3-octylimidazol-3-ium iodide
CID 141228850
bis(1,3-didodecylimidazol-1-ium) diiodide
CID 139144498
1-ethenyl-3-prop-2-enylimidazol-3-ium iodide
CID 118952406
1-ethyl-3-undecylimidazol-3-ium
CID 87807837

Frequently Asked Questions

What is the IUPAC name of 1-ethenyl-3-pentylimidazol-3-ium chloride?
The IUPAC name of 1-ethenyl-3-pentylimidazol-3-ium chloride (CID 172560941) is 1-ethenyl-3-pentylimidazol-3-ium chloride.
What is the SMILES notation for 1-ethenyl-3-pentylimidazol-3-ium chloride?
The canonical SMILES for 1-ethenyl-3-pentylimidazol-3-ium chloride is C=Cn1cc[n+](CCCCC)c1.[Cl-].
What is the InChIKey of 1-ethenyl-3-pentylimidazol-3-ium chloride?
The InChIKey is MKCDGFPKMXXGHF-UHFFFAOYSA-M. The full InChI is InChI=1S/C10H17N2.ClH/c1-3-5-6-7-12-9-8-11(4-2)10-12;/h4,8-10H,2-3,5-7H2,1H3;1H/q+1;/p-1.
What are the key properties of 1-ethenyl-3-pentylimidazol-3-ium chloride?
1-ethenyl-3-pentylimidazol-3-ium chloride has a molecular weight of 200.71 g/mol, XLogP of -0.93, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethenyl-3-pentylimidazol-3-ium chloride is sourced from PubChem (CID 172560941), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).