1-N,1-N,3-N,3-N-tetramethylimidazol-1-ium-1,3-dicarboxamide chloride

C9H15ClN4O2 — CID 3077851

IUPAC1-N,1-N,3-N,3-N-tetramethylimidazol-1-ium-1,3-dicarboxamide chloride
SMILESCN(C)C(=O)n1cc[n+](C(=O)N(C)C)c1.[Cl-]
InChIInChI=1S/C9H15N4O2.ClH/c1-10(2)8(14)12-5-6-13(7-12)9(15)11(3)4;/h5-7H,1-4H3;1H/q+1;/p-1
InChIKeyZSVLFJUDFXBZTG-UHFFFAOYSA-M
MW246.70 g/mol
LogP-3.16
Rot. Bonds

About 1-N,1-N,3-N,3-N-tetramethylimidazol-1-ium-1,3-dicarboxamide chloride

1-N,1-N,3-N,3-N-tetramethylimidazol-1-ium-1,3-dicarboxamide chloride (PubChem CID 3077851) has the molecular formula C9H15ClN4O2 and a molecular weight of 246.70 g/mol. Its IUPAC name is 1-N,1-N,3-N,3-N-tetramethylimidazol-1-ium-1,3-dicarboxamide chloride.

Molecular Properties

Compound Name1-N,1-N,3-N,3-N-tetramethylimidazol-1-ium-1,3-dicarboxamide chloride
PubChem CID3077851
Molecular FormulaC9H15ClN4O2
Molecular Weight246.70 g/mol
Exact Mass246.09
IUPAC Name1-N,1-N,3-N,3-N-tetramethylimidazol-1-ium-1,3-dicarboxamide chloride
SMILESCN(C)C(=O)n1cc[n+](C(=O)N(C)C)c1.[Cl-]
InChIInChI=1S/C9H15N4O2.ClH/c1-10(2)8(14)12-5-6-13(7-12)9(15)11(3)4;/h5-7H,1-4H3;1H/q+1;/p-1
InChIKeyZSVLFJUDFXBZTG-UHFFFAOYSA-M
XLogP-3.16
TPSA49.43 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.70
LogP ≤ 5-3.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyl_het_A(9)', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-N,1-N,3-N,3-N-tetramethylimidazol-1-ium-1,3-dicarboxamide chloride?
The IUPAC name of 1-N,1-N,3-N,3-N-tetramethylimidazol-1-ium-1,3-dicarboxamide chloride (CID 3077851) is 1-N,1-N,3-N,3-N-tetramethylimidazol-1-ium-1,3-dicarboxamide chloride.
What is the SMILES notation for 1-N,1-N,3-N,3-N-tetramethylimidazol-1-ium-1,3-dicarboxamide chloride?
The canonical SMILES for 1-N,1-N,3-N,3-N-tetramethylimidazol-1-ium-1,3-dicarboxamide chloride is CN(C)C(=O)n1cc[n+](C(=O)N(C)C)c1.[Cl-].
What is the InChIKey of 1-N,1-N,3-N,3-N-tetramethylimidazol-1-ium-1,3-dicarboxamide chloride?
The InChIKey is ZSVLFJUDFXBZTG-UHFFFAOYSA-M. The full InChI is InChI=1S/C9H15N4O2.ClH/c1-10(2)8(14)12-5-6-13(7-12)9(15)11(3)4;/h5-7H,1-4H3;1H/q+1;/p-1.
What are the key properties of 1-N,1-N,3-N,3-N-tetramethylimidazol-1-ium-1,3-dicarboxamide chloride?
1-N,1-N,3-N,3-N-tetramethylimidazol-1-ium-1,3-dicarboxamide chloride has a molecular weight of 246.70 g/mol, XLogP of -3.16, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N,1-N,3-N,3-N-tetramethylimidazol-1-ium-1,3-dicarboxamide chloride is sourced from PubChem (CID 3077851), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).