3-(1,3-dioxoisoindol-2-yl)oxypropyl-trimethylazanium

C14H19N2O3+ — CID 155683089

IUPAC3-(1,3-dioxoisoindol-2-yl)oxypropyl-trimethylazanium
SMILESC[N+](C)(C)CCCON1C(=O)c2ccccc2C1=O
InChIInChI=1S/C14H19N2O3/c1-16(2,3)9-6-10-19-15-13(17)11-7-4-5-8-12(11)14(15)18/h4-5,7-8H,6,9-10H2,1-3H3/q+1
InChIKeyLYEFQWBTAZEXSM-UHFFFAOYSA-N
MW263.32 g/mol
LogP1.31
Rot. Bonds5

About 3-(1,3-dioxoisoindol-2-yl)oxypropyl-trimethylazanium

3-(1,3-dioxoisoindol-2-yl)oxypropyl-trimethylazanium (PubChem CID 155683089) has the molecular formula C14H19N2O3+ and a molecular weight of 263.32 g/mol. Its IUPAC name is 3-(1,3-dioxoisoindol-2-yl)oxypropyl-trimethylazanium.

Molecular Properties

Compound Name3-(1,3-dioxoisoindol-2-yl)oxypropyl-trimethylazanium
PubChem CID155683089
Molecular FormulaC14H19N2O3+
Molecular Weight263.32 g/mol
Exact Mass263.14
IUPAC Name3-(1,3-dioxoisoindol-2-yl)oxypropyl-trimethylazanium
SMILESC[N+](C)(C)CCCON1C(=O)c2ccccc2C1=O
InChIInChI=1S/C14H19N2O3/c1-16(2,3)9-6-10-19-15-13(17)11-7-4-5-8-12(11)14(15)18/h4-5,7-8H,6,9-10H2,1-3H3/q+1
InChIKeyLYEFQWBTAZEXSM-UHFFFAOYSA-N
XLogP1.31
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.32
LogP ≤ 51.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-(4-oxopentoxy)isoindole-1,3-dione
CID 46910149
3-(1,3-dioxoisoindol-2-yl)propyl-trimethylazanium
CID 19927294
2-[3-(propylamino)propoxy]isoindole-1,3-dione
CID 59259670
methane;2-[3-(3-methoxypropylamino)propoxy]isoindole-1,3-dione
CID 159790407
2-hept-6-enoxyisoindole-1,3-dione
CID 162768811
2-[2-(chloromethoxy)ethoxy]isoindole-1,3-dione
CID 86101763
2-[2-(diethylamino)ethoxy]isoindole-1,3-dione
CID 15918162
2-(5-oxo-5-phenylpentoxy)isoindole-1,3-dione
CID 76853033
2-[2-(4-methylpyridin-1-ium-1-yl)ethoxy]isoindole-1,3-dione
CID 5163432
2-[2-(2-bromoethoxy)ethoxy]isoindole-1,3-dione
CID 67469414
2-(1,3-dioxoisoindol-2-yl)oxyethyl acetate;molecular hydrogen
CID 158595892
2-(2-but-3-ynoxyethoxy)isoindole-1,3-dione
CID 134109741

Frequently Asked Questions

What is the IUPAC name of 3-(1,3-dioxoisoindol-2-yl)oxypropyl-trimethylazanium?
The IUPAC name of 3-(1,3-dioxoisoindol-2-yl)oxypropyl-trimethylazanium (CID 155683089) is 3-(1,3-dioxoisoindol-2-yl)oxypropyl-trimethylazanium.
What is the SMILES notation for 3-(1,3-dioxoisoindol-2-yl)oxypropyl-trimethylazanium?
The canonical SMILES for 3-(1,3-dioxoisoindol-2-yl)oxypropyl-trimethylazanium is C[N+](C)(C)CCCON1C(=O)c2ccccc2C1=O.
What is the InChIKey of 3-(1,3-dioxoisoindol-2-yl)oxypropyl-trimethylazanium?
The InChIKey is LYEFQWBTAZEXSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N2O3/c1-16(2,3)9-6-10-19-15-13(17)11-7-4-5-8-12(11)14(15)18/h4-5,7-8H,6,9-10H2,1-3H3/q+1.
What are the key properties of 3-(1,3-dioxoisoindol-2-yl)oxypropyl-trimethylazanium?
3-(1,3-dioxoisoindol-2-yl)oxypropyl-trimethylazanium has a molecular weight of 263.32 g/mol, XLogP of 1.31, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1,3-dioxoisoindol-2-yl)oxypropyl-trimethylazanium is sourced from PubChem (CID 155683089), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).