1-ethyl-1-methylimidazol-1-ium perchlorate

C6H11ClN2O4 — CID 18377244

IUPAC1-ethyl-1-methylimidazol-1-ium perchlorate
SMILESCC[N+]1(C)C=CN=C1.[O-][Cl+3]([O-])([O-])[O-]
InChIInChI=1S/C6H11N2.ClHO4/c1-3-8(2)5-4-7-6-8;2-1(3,4)5/h4-6H,3H2,1-2H3;(H,2,3,4,5)/q+1;/p-1
InChIKeyGOZKYOZZSVDMIC-UHFFFAOYSA-M
MW210.62 g/mol
LogP-3.79
Rot. Bonds1

About 1-ethyl-1-methylimidazol-1-ium perchlorate

1-ethyl-1-methylimidazol-1-ium perchlorate (PubChem CID 18377244) has the molecular formula C6H11ClN2O4 and a molecular weight of 210.62 g/mol. Its IUPAC name is 1-ethyl-1-methylimidazol-1-ium perchlorate.

Molecular Properties

Compound Name1-ethyl-1-methylimidazol-1-ium perchlorate
PubChem CID18377244
Molecular FormulaC6H11ClN2O4
Molecular Weight210.62 g/mol
Exact Mass210.04
IUPAC Name1-ethyl-1-methylimidazol-1-ium perchlorate
SMILESCC[N+]1(C)C=CN=C1.[O-][Cl+3]([O-])([O-])[O-]
InChIInChI=1S/C6H11N2.ClHO4/c1-3-8(2)5-4-7-6-8;2-1(3,4)5/h4-6H,3H2,1-2H3;(H,2,3,4,5)/q+1;/p-1
InChIKeyGOZKYOZZSVDMIC-UHFFFAOYSA-M
XLogP-3.79
TPSA104.60 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.62
LogP ≤ 5-3.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-ethyl-1-methylimidazol-1-ium perchlorate?
The IUPAC name of 1-ethyl-1-methylimidazol-1-ium perchlorate (CID 18377244) is 1-ethyl-1-methylimidazol-1-ium perchlorate.
What is the SMILES notation for 1-ethyl-1-methylimidazol-1-ium perchlorate?
The canonical SMILES for 1-ethyl-1-methylimidazol-1-ium perchlorate is CC[N+]1(C)C=CN=C1.[O-][Cl+3]([O-])([O-])[O-].
What is the InChIKey of 1-ethyl-1-methylimidazol-1-ium perchlorate?
The InChIKey is GOZKYOZZSVDMIC-UHFFFAOYSA-M. The full InChI is InChI=1S/C6H11N2.ClHO4/c1-3-8(2)5-4-7-6-8;2-1(3,4)5/h4-6H,3H2,1-2H3;(H,2,3,4,5)/q+1;/p-1.
What are the key properties of 1-ethyl-1-methylimidazol-1-ium perchlorate?
1-ethyl-1-methylimidazol-1-ium perchlorate has a molecular weight of 210.62 g/mol, XLogP of -3.79, 1 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-1-methylimidazol-1-ium perchlorate is sourced from PubChem (CID 18377244), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).