iodic acid;1-methyl-3-propyl-2H-imidazole

C7H15IN2O3 — CID 159990491

IUPACiodic acid;1-methyl-3-propyl-2H-imidazole
SMILESCCCN1C=CN(C)C1.[O-][I+2]([O-])O
InChIInChI=1S/C7H14N2.HIO3/c1-3-4-9-6-5-8(2)7-9;2-1(3)4/h5-6H,3-4,7H2,1-2H3;2H
InChIKeyOGWRXHFGRPNWBJ-UHFFFAOYSA-N
MW302.11 g/mol
LogP-4.86
Rot. Bonds2

About iodic acid;1-methyl-3-propyl-2H-imidazole

iodic acid;1-methyl-3-propyl-2H-imidazole (PubChem CID 159990491) has the molecular formula C7H15IN2O3 and a molecular weight of 302.11 g/mol. Its IUPAC name is iodic acid;1-methyl-3-propyl-2H-imidazole.

Molecular Properties

Compound Nameiodic acid;1-methyl-3-propyl-2H-imidazole
PubChem CID159990491
Molecular FormulaC7H15IN2O3
Molecular Weight302.11 g/mol
Exact Mass302.01
IUPAC Nameiodic acid;1-methyl-3-propyl-2H-imidazole
SMILESCCCN1C=CN(C)C1.[O-][I+2]([O-])O
InChIInChI=1S/C7H14N2.HIO3/c1-3-4-9-6-5-8(2)7-9;2-1(3)4/h5-6H,3-4,7H2,1-2H3;2H
InChIKeyOGWRXHFGRPNWBJ-UHFFFAOYSA-N
XLogP-4.86
TPSA72.83 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.11
LogP ≤ 5-4.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of iodic acid;1-methyl-3-propyl-2H-imidazole?
The IUPAC name of iodic acid;1-methyl-3-propyl-2H-imidazole (CID 159990491) is iodic acid;1-methyl-3-propyl-2H-imidazole.
What is the SMILES notation for iodic acid;1-methyl-3-propyl-2H-imidazole?
The canonical SMILES for iodic acid;1-methyl-3-propyl-2H-imidazole is CCCN1C=CN(C)C1.[O-][I+2]([O-])O.
What is the InChIKey of iodic acid;1-methyl-3-propyl-2H-imidazole?
The InChIKey is OGWRXHFGRPNWBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14N2.HIO3/c1-3-4-9-6-5-8(2)7-9;2-1(3)4/h5-6H,3-4,7H2,1-2H3;2H.
What are the key properties of iodic acid;1-methyl-3-propyl-2H-imidazole?
iodic acid;1-methyl-3-propyl-2H-imidazole has a molecular weight of 302.11 g/mol, XLogP of -4.86, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for iodic acid;1-methyl-3-propyl-2H-imidazole is sourced from PubChem (CID 159990491), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).