perchloric acid;2,4,4-trimethyl-1H-imidazol-5-one

C6H11ClN2O5 — CID 71345842

IUPACperchloric acid;2,4,4-trimethyl-1H-imidazol-5-one
SMILESCC1=NC(C)(C)C(=O)N1.[O-][Cl+3]([O-])([O-])O
InChIInChI=1S/C6H10N2O.ClHO4/c1-4-7-5(9)6(2,3)8-4;2-1(3,4)5/h1-3H3,(H,7,8,9);(H,2,3,4,5)
InChIKeyAXNSTGBPAPBMMI-UHFFFAOYSA-N
MW226.62 g/mol
LogP-3.81
Rot. Bonds

About perchloric acid;2,4,4-trimethyl-1H-imidazol-5-one

perchloric acid;2,4,4-trimethyl-1H-imidazol-5-one (PubChem CID 71345842) has the molecular formula C6H11ClN2O5 and a molecular weight of 226.62 g/mol. Its IUPAC name is perchloric acid;2,4,4-trimethyl-1H-imidazol-5-one.

Molecular Properties

Compound Nameperchloric acid;2,4,4-trimethyl-1H-imidazol-5-one
PubChem CID71345842
Molecular FormulaC6H11ClN2O5
Molecular Weight226.62 g/mol
Exact Mass226.04
IUPAC Nameperchloric acid;2,4,4-trimethyl-1H-imidazol-5-one
SMILESCC1=NC(C)(C)C(=O)N1.[O-][Cl+3]([O-])([O-])O
InChIInChI=1S/C6H10N2O.ClHO4/c1-4-7-5(9)6(2,3)8-4;2-1(3,4)5/h1-3H3,(H,7,8,9);(H,2,3,4,5)
InChIKeyAXNSTGBPAPBMMI-UHFFFAOYSA-N
XLogP-3.81
TPSA130.87 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.62
LogP ≤ 5-3.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of perchloric acid;2,4,4-trimethyl-1H-imidazol-5-one?
The IUPAC name of perchloric acid;2,4,4-trimethyl-1H-imidazol-5-one (CID 71345842) is perchloric acid;2,4,4-trimethyl-1H-imidazol-5-one.
What is the SMILES notation for perchloric acid;2,4,4-trimethyl-1H-imidazol-5-one?
The canonical SMILES for perchloric acid;2,4,4-trimethyl-1H-imidazol-5-one is CC1=NC(C)(C)C(=O)N1.[O-][Cl+3]([O-])([O-])O.
What is the InChIKey of perchloric acid;2,4,4-trimethyl-1H-imidazol-5-one?
The InChIKey is AXNSTGBPAPBMMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10N2O.ClHO4/c1-4-7-5(9)6(2,3)8-4;2-1(3,4)5/h1-3H3,(H,7,8,9);(H,2,3,4,5).
What are the key properties of perchloric acid;2,4,4-trimethyl-1H-imidazol-5-one?
perchloric acid;2,4,4-trimethyl-1H-imidazol-5-one has a molecular weight of 226.62 g/mol, XLogP of -3.81, 0 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for perchloric acid;2,4,4-trimethyl-1H-imidazol-5-one is sourced from PubChem (CID 71345842), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).