1-(1-ethenylcyclohexyl)-1-methylpyrrolidin-1-ium iodide

C13H24IN — CID 3031625

IUPAC1-(1-ethenylcyclohexyl)-1-methylpyrrolidin-1-ium iodide
SMILESC=CC1([N+]2(C)CCCC2)CCCCC1.[I-]
InChIInChI=1S/C13H24N.HI/c1-3-13(9-5-4-6-10-13)14(2)11-7-8-12-14;/h3H,1,4-12H2,2H3;1H/q+1;/p-1
InChIKeyPESUQRPJHQMALJ-UHFFFAOYSA-M
MW321.25 g/mol
LogP0.12
Rot. Bonds2

About 1-(1-ethenylcyclohexyl)-1-methylpyrrolidin-1-ium iodide

1-(1-ethenylcyclohexyl)-1-methylpyrrolidin-1-ium iodide (PubChem CID 3031625) has the molecular formula C13H24IN and a molecular weight of 321.25 g/mol. Its IUPAC name is 1-(1-ethenylcyclohexyl)-1-methylpyrrolidin-1-ium iodide.

Molecular Properties

Compound Name1-(1-ethenylcyclohexyl)-1-methylpyrrolidin-1-ium iodide
PubChem CID3031625
Molecular FormulaC13H24IN
Molecular Weight321.25 g/mol
Exact Mass321.10
IUPAC Name1-(1-ethenylcyclohexyl)-1-methylpyrrolidin-1-ium iodide
SMILESC=CC1([N+]2(C)CCCC2)CCCCC1.[I-]
InChIInChI=1S/C13H24N.HI/c1-3-13(9-5-4-6-10-13)14(2)11-7-8-12-14;/h3H,1,4-12H2,2H3;1H/q+1;/p-1
InChIKeyPESUQRPJHQMALJ-UHFFFAOYSA-M
XLogP0.12
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.25
LogP ≤ 50.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'iodine', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_2', 'substructure': 'N/A'}

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Related Compounds

Pyrrolidine, 1-(1-allylcyclohexyl)-
CID 202079
Pyrrolidine, 1-(1-vinylcyclohexyl)-
CID 203371
1-(1-Allylcyclohexyl)-1-methylpyrrolidinium iodide
CID 3031562
8a-ethenyl-4-methyl-2,3,5,6,7,8-hexahydro-1H-indolizin-4-ium iodide
CID 24190813
1-But-3-enyl-2,2-bis(2-methylprop-2-enyl)pyrrolidine
CID 58193773
2,2-Bis(2-methylprop-2-enyl)-1-prop-2-enylpyrrolidine
CID 58193792
1,2-Dimethyl-2-prop-2-enylpyrrolidine
CID 58293407
2-Ethenyl-1-ethyl-2-methylpyrrolidine
CID 67765090
1,2,2-Tris(prop-2-enyl)pyrrolidine
CID 118117920
1,2-Dimethyl-2-prop-2-enylpyrrolidine;ethane
CID 123564390
2-Ethenyl-2-methyl-1-propan-2-ylpyrrolidine
CID 129119781
1-Tert-butyl-2-ethenyl-2-methylpyrrolidine
CID 130272180

Frequently Asked Questions

What is the IUPAC name of 1-(1-ethenylcyclohexyl)-1-methylpyrrolidin-1-ium iodide?
The IUPAC name of 1-(1-ethenylcyclohexyl)-1-methylpyrrolidin-1-ium iodide (CID 3031625) is 1-(1-ethenylcyclohexyl)-1-methylpyrrolidin-1-ium iodide.
What is the SMILES notation for 1-(1-ethenylcyclohexyl)-1-methylpyrrolidin-1-ium iodide?
The canonical SMILES for 1-(1-ethenylcyclohexyl)-1-methylpyrrolidin-1-ium iodide is C=CC1([N+]2(C)CCCC2)CCCCC1.[I-].
What is the InChIKey of 1-(1-ethenylcyclohexyl)-1-methylpyrrolidin-1-ium iodide?
The InChIKey is PESUQRPJHQMALJ-UHFFFAOYSA-M. The full InChI is InChI=1S/C13H24N.HI/c1-3-13(9-5-4-6-10-13)14(2)11-7-8-12-14;/h3H,1,4-12H2,2H3;1H/q+1;/p-1.
What are the key properties of 1-(1-ethenylcyclohexyl)-1-methylpyrrolidin-1-ium iodide?
1-(1-ethenylcyclohexyl)-1-methylpyrrolidin-1-ium iodide has a molecular weight of 321.25 g/mol, XLogP of 0.12, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-ethenylcyclohexyl)-1-methylpyrrolidin-1-ium iodide is sourced from PubChem (CID 3031625), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).