trimethyl-[(5-oxo-4,4-diphenyloxolan-2-yl)methyl]azanium iodide

C20H24INO2 — CID 10071742

IUPACtrimethyl-[(5-oxo-4,4-diphenyloxolan-2-yl)methyl]azanium iodide
SMILESC[N+](C)(C)CC1CC(c2ccccc2)(c2ccccc2)C(=O)O1.[I-]
InChIInChI=1S/C20H24NO2.HI/c1-21(2,3)15-18-14-20(19(22)23-18,16-10-6-4-7-11-16)17-12-8-5-9-13-17;/h4-13,18H,14-15H2,1-3H3;1H/q+1;/p-1
InChIKeyQTCGNKSIFDRJCD-UHFFFAOYSA-M
MW437.32 g/mol
LogP-0.00
Rot. Bonds4

About trimethyl-[(5-oxo-4,4-diphenyloxolan-2-yl)methyl]azanium iodide

trimethyl-[(5-oxo-4,4-diphenyloxolan-2-yl)methyl]azanium iodide (PubChem CID 10071742) has the molecular formula C20H24INO2 and a molecular weight of 437.32 g/mol. Its IUPAC name is trimethyl-[(5-oxo-4,4-diphenyloxolan-2-yl)methyl]azanium iodide.

Molecular Properties

Compound Nametrimethyl-[(5-oxo-4,4-diphenyloxolan-2-yl)methyl]azanium iodide
PubChem CID10071742
Molecular FormulaC20H24INO2
Molecular Weight437.32 g/mol
Exact Mass437.09
IUPAC Nametrimethyl-[(5-oxo-4,4-diphenyloxolan-2-yl)methyl]azanium iodide
SMILESC[N+](C)(C)CC1CC(c2ccccc2)(c2ccccc2)C(=O)O1.[I-]
InChIInChI=1S/C20H24NO2.HI/c1-21(2,3)15-18-14-20(19(22)23-18,16-10-6-4-7-11-16)17-12-8-5-9-13-17;/h4-13,18H,14-15H2,1-3H3;1H/q+1;/p-1
InChIKeyQTCGNKSIFDRJCD-UHFFFAOYSA-M
XLogP-0.00
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500437.32
LogP ≤ 5-0.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

Adiphenine
CID 2031
Aprofene
CID 71128
Proadifen Hydrochloride
CID 65341
Piperidolate
CID 4839
Proadifen
CID 4910
Piperidolate Hydrochloride
CID 8520
Caramiphen
CID 6472
Adiphenine Hydrochloride
CID 5763
Caramiphen Hydrochloride
CID 67173
Dioxaphetyl Butyrate
CID 48194
D-104 (FDA NDC: 58264-0110)
CID 3014059
Furethidine
CID 61306

Frequently Asked Questions

What is the IUPAC name of trimethyl-[(5-oxo-4,4-diphenyloxolan-2-yl)methyl]azanium iodide?
The IUPAC name of trimethyl-[(5-oxo-4,4-diphenyloxolan-2-yl)methyl]azanium iodide (CID 10071742) is trimethyl-[(5-oxo-4,4-diphenyloxolan-2-yl)methyl]azanium iodide.
What is the SMILES notation for trimethyl-[(5-oxo-4,4-diphenyloxolan-2-yl)methyl]azanium iodide?
The canonical SMILES for trimethyl-[(5-oxo-4,4-diphenyloxolan-2-yl)methyl]azanium iodide is C[N+](C)(C)CC1CC(c2ccccc2)(c2ccccc2)C(=O)O1.[I-].
What is the InChIKey of trimethyl-[(5-oxo-4,4-diphenyloxolan-2-yl)methyl]azanium iodide?
The InChIKey is QTCGNKSIFDRJCD-UHFFFAOYSA-M. The full InChI is InChI=1S/C20H24NO2.HI/c1-21(2,3)15-18-14-20(19(22)23-18,16-10-6-4-7-11-16)17-12-8-5-9-13-17;/h4-13,18H,14-15H2,1-3H3;1H/q+1;/p-1.
What are the key properties of trimethyl-[(5-oxo-4,4-diphenyloxolan-2-yl)methyl]azanium iodide?
trimethyl-[(5-oxo-4,4-diphenyloxolan-2-yl)methyl]azanium iodide has a molecular weight of 437.32 g/mol, XLogP of -0.00, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for trimethyl-[(5-oxo-4,4-diphenyloxolan-2-yl)methyl]azanium iodide is sourced from PubChem (CID 10071742), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).