4-[(1-ethyl-3-methylimidazol-3-ium-2-yl)methyl]-1,3-dioxolan-2-one

C10H15N2O3+ — CID 178182583

IUPAC4-[(1-ethyl-3-methylimidazol-3-ium-2-yl)methyl]-1,3-dioxolan-2-one
SMILESCCn1cc[n+](C)c1CC1COC(=O)O1
InChIInChI=1S/C10H15N2O3/c1-3-12-5-4-11(2)9(12)6-8-7-14-10(13)15-8/h4-5,8H,3,6-7H2,1-2H3/q+1
InChIKeyFTXRWZRBNNDRCJ-UHFFFAOYSA-N
MW211.24 g/mol
LogP0.41
Rot. Bonds3

About 4-[(1-ethyl-3-methylimidazol-3-ium-2-yl)methyl]-1,3-dioxolan-2-one

4-[(1-ethyl-3-methylimidazol-3-ium-2-yl)methyl]-1,3-dioxolan-2-one (PubChem CID 178182583) has the molecular formula C10H15N2O3+ and a molecular weight of 211.24 g/mol. Its IUPAC name is 4-[(1-ethyl-3-methylimidazol-3-ium-2-yl)methyl]-1,3-dioxolan-2-one.

Molecular Properties

Compound Name4-[(1-ethyl-3-methylimidazol-3-ium-2-yl)methyl]-1,3-dioxolan-2-one
PubChem CID178182583
Molecular FormulaC10H15N2O3+
Molecular Weight211.24 g/mol
Exact Mass211.11
IUPAC Name4-[(1-ethyl-3-methylimidazol-3-ium-2-yl)methyl]-1,3-dioxolan-2-one
SMILESCCn1cc[n+](C)c1CC1COC(=O)O1
InChIInChI=1S/C10H15N2O3/c1-3-12-5-4-11(2)9(12)6-8-7-14-10(13)15-8/h4-5,8H,3,6-7H2,1-2H3/q+1
InChIKeyFTXRWZRBNNDRCJ-UHFFFAOYSA-N
XLogP0.41
TPSA44.34 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.24
LogP ≤ 50.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-[(1-ethyl-3-methylimidazol-3-ium-2-yl)methyl]-1,3-dioxolan-2-one?
The IUPAC name of 4-[(1-ethyl-3-methylimidazol-3-ium-2-yl)methyl]-1,3-dioxolan-2-one (CID 178182583) is 4-[(1-ethyl-3-methylimidazol-3-ium-2-yl)methyl]-1,3-dioxolan-2-one.
What is the SMILES notation for 4-[(1-ethyl-3-methylimidazol-3-ium-2-yl)methyl]-1,3-dioxolan-2-one?
The canonical SMILES for 4-[(1-ethyl-3-methylimidazol-3-ium-2-yl)methyl]-1,3-dioxolan-2-one is CCn1cc[n+](C)c1CC1COC(=O)O1.
What is the InChIKey of 4-[(1-ethyl-3-methylimidazol-3-ium-2-yl)methyl]-1,3-dioxolan-2-one?
The InChIKey is FTXRWZRBNNDRCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N2O3/c1-3-12-5-4-11(2)9(12)6-8-7-14-10(13)15-8/h4-5,8H,3,6-7H2,1-2H3/q+1.
What are the key properties of 4-[(1-ethyl-3-methylimidazol-3-ium-2-yl)methyl]-1,3-dioxolan-2-one?
4-[(1-ethyl-3-methylimidazol-3-ium-2-yl)methyl]-1,3-dioxolan-2-one has a molecular weight of 211.24 g/mol, XLogP of 0.41, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(1-ethyl-3-methylimidazol-3-ium-2-yl)methyl]-1,3-dioxolan-2-one is sourced from PubChem (CID 178182583), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).