2-[3-(2-methoxyphenyl)prop-2-enoyloxy]ethyl-dimethylazanium

C14H20NO3+ — CID 3350650

IUPAC2-[3-(2-methoxyphenyl)prop-2-enoyloxy]ethyl-dimethylazanium
SMILESCOc1ccccc1C=CC(=O)OCC[NH+](C)C
InChIInChI=1S/C14H19NO3/c1-15(2)10-11-18-14(16)9-8-12-6-4-5-7-13(12)17-3/h4-9H,10-11H2,1-3H3/p+1
InChIKeyRSEUSEHRIIPBNR-UHFFFAOYSA-O
MW250.32 g/mol
LogP0.40
Rot. Bonds6

About 2-[3-(2-methoxyphenyl)prop-2-enoyloxy]ethyl-dimethylazanium

2-[3-(2-methoxyphenyl)prop-2-enoyloxy]ethyl-dimethylazanium (PubChem CID 3350650) has the molecular formula C14H20NO3+ and a molecular weight of 250.32 g/mol. Its IUPAC name is 2-[3-(2-methoxyphenyl)prop-2-enoyloxy]ethyl-dimethylazanium.

Molecular Properties

Compound Name2-[3-(2-methoxyphenyl)prop-2-enoyloxy]ethyl-dimethylazanium
PubChem CID3350650
Molecular FormulaC14H20NO3+
Molecular Weight250.32 g/mol
Exact Mass250.14
IUPAC Name2-[3-(2-methoxyphenyl)prop-2-enoyloxy]ethyl-dimethylazanium
SMILESCOc1ccccc1C=CC(=O)OCC[NH+](C)C
InChIInChI=1S/C14H19NO3/c1-15(2)10-11-18-14(16)9-8-12-6-4-5-7-13(12)17-3/h4-9H,10-11H2,1-3H3/p+1
InChIKeyRSEUSEHRIIPBNR-UHFFFAOYSA-O
XLogP0.40
TPSA39.97 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.32
LogP ≤ 50.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

2-[3-(2-methoxyphenyl)prop-2-enoyloxy]ethyl-dimethylazanium chloride
CID 71966221
(2-amino-2-oxoethyl) (E)-3-(2-methoxyphenyl)prop-2-enoate
CID 2541550
phenacyl (E)-3-(2-methoxyphenyl)prop-2-enoate
CID 2541811
(3,3-dimethyl-2-oxobutyl) 3-(2-methoxyphenyl)prop-2-enoate
CID 3632241
[2-(dimethylamino)-2-oxoethyl] (E)-3-(2-methoxyphenyl)prop-2-enoate
CID 2097828
tert-butyl 3-(2-methoxyphenyl)prop-2-enoate
CID 72952089
[2-(ethylamino)-2-oxoethyl] 3-(2-methoxyphenyl)prop-2-enoate
CID 4223995
ethyl (2E,4E)-5-(2-methoxyphenyl)penta-2,4-dienoate
CID 87212228
[(E)-3-(2,4,5-trimethoxyphenyl)prop-2-enyl] (E)-3-(2-methoxyphenyl)prop-2-enoate
CID 155530627
[2-(4-fluorophenyl)-2-oxoethyl] (E)-3-(2-methoxyphenyl)prop-2-enoate
CID 2444614
[2-(4-fluorophenyl)-2-oxoethyl] 3-(2-methoxyphenyl)prop-2-enoate
CID 4878019
N-hydroxy-3-(2-methoxyphenyl)prop-2-enamide
CID 123173944

Frequently Asked Questions

What is the IUPAC name of 2-[3-(2-methoxyphenyl)prop-2-enoyloxy]ethyl-dimethylazanium?
The IUPAC name of 2-[3-(2-methoxyphenyl)prop-2-enoyloxy]ethyl-dimethylazanium (CID 3350650) is 2-[3-(2-methoxyphenyl)prop-2-enoyloxy]ethyl-dimethylazanium.
What is the SMILES notation for 2-[3-(2-methoxyphenyl)prop-2-enoyloxy]ethyl-dimethylazanium?
The canonical SMILES for 2-[3-(2-methoxyphenyl)prop-2-enoyloxy]ethyl-dimethylazanium is COc1ccccc1C=CC(=O)OCC[NH+](C)C.
What is the InChIKey of 2-[3-(2-methoxyphenyl)prop-2-enoyloxy]ethyl-dimethylazanium?
The InChIKey is RSEUSEHRIIPBNR-UHFFFAOYSA-O. The full InChI is InChI=1S/C14H19NO3/c1-15(2)10-11-18-14(16)9-8-12-6-4-5-7-13(12)17-3/h4-9H,10-11H2,1-3H3/p+1.
What are the key properties of 2-[3-(2-methoxyphenyl)prop-2-enoyloxy]ethyl-dimethylazanium?
2-[3-(2-methoxyphenyl)prop-2-enoyloxy]ethyl-dimethylazanium has a molecular weight of 250.32 g/mol, XLogP of 0.40, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(2-methoxyphenyl)prop-2-enoyloxy]ethyl-dimethylazanium is sourced from PubChem (CID 3350650), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).