trimethyl-[[(1R)-2-oxocyclopentyl]methyl]azanium iodide

C9H18INO — CID 53298307

IUPACtrimethyl-[[(1R)-2-oxocyclopentyl]methyl]azanium iodide
SMILESC[N+](C)(C)C[C@H]1CCCC1=O.[I-]
InChIInChI=1S/C9H18NO.HI/c1-10(2,3)7-8-5-4-6-9(8)11;/h8H,4-7H2,1-3H3;1H/q+1;/p-1/t8-;/m1./s1
InChIKeyXGYPQXHXWPLYIF-DDWIOCJRSA-M
MW283.15 g/mol
LogP-1.93
Rot. Bonds2

About trimethyl-[[(1R)-2-oxocyclopentyl]methyl]azanium iodide

trimethyl-[[(1R)-2-oxocyclopentyl]methyl]azanium iodide (PubChem CID 53298307) has the molecular formula C9H18INO and a molecular weight of 283.15 g/mol. Its IUPAC name is trimethyl-[[(1R)-2-oxocyclopentyl]methyl]azanium iodide.

Molecular Properties

Compound Nametrimethyl-[[(1R)-2-oxocyclopentyl]methyl]azanium iodide
PubChem CID53298307
Molecular FormulaC9H18INO
Molecular Weight283.15 g/mol
Exact Mass283.04
IUPAC Nametrimethyl-[[(1R)-2-oxocyclopentyl]methyl]azanium iodide
SMILESC[N+](C)(C)C[C@H]1CCCC1=O.[I-]
InChIInChI=1S/C9H18NO.HI/c1-10(2,3)7-8-5-4-6-9(8)11;/h8H,4-7H2,1-3H3;1H/q+1;/p-1/t8-;/m1./s1
InChIKeyXGYPQXHXWPLYIF-DDWIOCJRSA-M
XLogP-1.93
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.15
LogP ≤ 5-1.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'iodine', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of trimethyl-[[(1R)-2-oxocyclopentyl]methyl]azanium iodide?
The IUPAC name of trimethyl-[[(1R)-2-oxocyclopentyl]methyl]azanium iodide (CID 53298307) is trimethyl-[[(1R)-2-oxocyclopentyl]methyl]azanium iodide.
What is the SMILES notation for trimethyl-[[(1R)-2-oxocyclopentyl]methyl]azanium iodide?
The canonical SMILES for trimethyl-[[(1R)-2-oxocyclopentyl]methyl]azanium iodide is C[N+](C)(C)C[C@H]1CCCC1=O.[I-].
What is the InChIKey of trimethyl-[[(1R)-2-oxocyclopentyl]methyl]azanium iodide?
The InChIKey is XGYPQXHXWPLYIF-DDWIOCJRSA-M. The full InChI is InChI=1S/C9H18NO.HI/c1-10(2,3)7-8-5-4-6-9(8)11;/h8H,4-7H2,1-3H3;1H/q+1;/p-1/t8-;/m1./s1.
What are the key properties of trimethyl-[[(1R)-2-oxocyclopentyl]methyl]azanium iodide?
trimethyl-[[(1R)-2-oxocyclopentyl]methyl]azanium iodide has a molecular weight of 283.15 g/mol, XLogP of -1.93, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for trimethyl-[[(1R)-2-oxocyclopentyl]methyl]azanium iodide is sourced from PubChem (CID 53298307), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).