1-(furan-2-yl)-1,3-dimethylimidazolidin-1-ium

C9H15N2O+ — CID 57143545

IUPAC1-(furan-2-yl)-1,3-dimethylimidazolidin-1-ium
SMILESCN1CC[N+](C)(c2ccco2)C1
InChIInChI=1S/C9H15N2O/c1-10-5-6-11(2,8-10)9-4-3-7-12-9/h3-4,7H,5-6,8H2,1-2H3/q+1
InChIKeyUKAHZDAWWAHZLF-UHFFFAOYSA-N
MW167.23 g/mol
LogP1.12
Rot. Bonds1

About 1-(furan-2-yl)-1,3-dimethylimidazolidin-1-ium

1-(furan-2-yl)-1,3-dimethylimidazolidin-1-ium (PubChem CID 57143545) has the molecular formula C9H15N2O+ and a molecular weight of 167.23 g/mol. Its IUPAC name is 1-(furan-2-yl)-1,3-dimethylimidazolidin-1-ium.

Molecular Properties

Compound Name1-(furan-2-yl)-1,3-dimethylimidazolidin-1-ium
PubChem CID57143545
Molecular FormulaC9H15N2O+
Molecular Weight167.23 g/mol
Exact Mass167.12
IUPAC Name1-(furan-2-yl)-1,3-dimethylimidazolidin-1-ium
SMILESCN1CC[N+](C)(c2ccco2)C1
InChIInChI=1S/C9H15N2O/c1-10-5-6-11(2,8-10)9-4-3-7-12-9/h3-4,7H,5-6,8H2,1-2H3/q+1
InChIKeyUKAHZDAWWAHZLF-UHFFFAOYSA-N
XLogP1.12
TPSA16.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.23
LogP ≤ 51.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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-(furan-2-yl)-1,3-dimethylimidazolidin-1-ium?
The IUPAC name of 1-(furan-2-yl)-1,3-dimethylimidazolidin-1-ium (CID 57143545) is 1-(furan-2-yl)-1,3-dimethylimidazolidin-1-ium.
What is the SMILES notation for 1-(furan-2-yl)-1,3-dimethylimidazolidin-1-ium?
The canonical SMILES for 1-(furan-2-yl)-1,3-dimethylimidazolidin-1-ium is CN1CC[N+](C)(c2ccco2)C1.
What is the InChIKey of 1-(furan-2-yl)-1,3-dimethylimidazolidin-1-ium?
The InChIKey is UKAHZDAWWAHZLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15N2O/c1-10-5-6-11(2,8-10)9-4-3-7-12-9/h3-4,7H,5-6,8H2,1-2H3/q+1.
What are the key properties of 1-(furan-2-yl)-1,3-dimethylimidazolidin-1-ium?
1-(furan-2-yl)-1,3-dimethylimidazolidin-1-ium has a molecular weight of 167.23 g/mol, XLogP of 1.12, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(furan-2-yl)-1,3-dimethylimidazolidin-1-ium is sourced from PubChem (CID 57143545), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).