ethyl-dimethyl-(2-prop-2-enoyloxyethyl)azanium iodide

C9H18INO2 — CID 86070106

IUPACethyl-dimethyl-(2-prop-2-enoyloxyethyl)azanium iodide
SMILESC=CC(=O)OCC[N+](C)(C)CC.[I-]
InChIInChI=1S/C9H18NO2.HI/c1-5-9(11)12-8-7-10(3,4)6-2;/h5H,1,6-8H2,2-4H3;1H/q+1;/p-1
InChIKeyTVVMJRQCRSUYET-UHFFFAOYSA-M
MW299.15 g/mol
LogP-2.18
Rot. Bonds5

About ethyl-dimethyl-(2-prop-2-enoyloxyethyl)azanium iodide

ethyl-dimethyl-(2-prop-2-enoyloxyethyl)azanium iodide (PubChem CID 86070106) has the molecular formula C9H18INO2 and a molecular weight of 299.15 g/mol. Its IUPAC name is ethyl-dimethyl-(2-prop-2-enoyloxyethyl)azanium iodide.

Molecular Properties

Compound Nameethyl-dimethyl-(2-prop-2-enoyloxyethyl)azanium iodide
PubChem CID86070106
Molecular FormulaC9H18INO2
Molecular Weight299.15 g/mol
Exact Mass299.04
IUPAC Nameethyl-dimethyl-(2-prop-2-enoyloxyethyl)azanium iodide
SMILESC=CC(=O)OCC[N+](C)(C)CC.[I-]
InChIInChI=1S/C9H18NO2.HI/c1-5-9(11)12-8-7-10(3,4)6-2;/h5H,1,6-8H2,2-4H3;1H/q+1;/p-1
InChIKeyTVVMJRQCRSUYET-UHFFFAOYSA-M
XLogP-2.18
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.15
LogP ≤ 5-2.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'iodine', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_2', 'substructure': 'N/A'}

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Related Compounds

[4-[[dimethyl(2-prop-2-enoyloxyethyl)azaniumyl]methyl]phenyl]methyl-ethyl-dimethylazanium
CID 18413289
decyl-dimethyl-(2-prop-2-enoyloxyethyl)azanium
CID 45270101
triethyl(3-prop-2-enoyloxypropyl)azanium iodide
CID 141332057
diethyl-methyl-(4-prop-2-enoyloxybutyl)azanium
CID 54323618
ethoxy-dimethyl-(2-prop-2-enoyloxyethyl)azanium chloride
CID 174937508
methyl-di(nonyl)-(2-prop-2-enoyloxyethyl)azanium iodide
CID 164853911
dodecyl-ethyl-methyl-(2-prop-2-enoyloxyethyl)azanium
CID 141141400
ethyl-(2-methoxy-2-oxoethyl)-methyl-(2-prop-2-enoyloxyethyl)azanium
CID 145223428
dimethyl-[3-(2-oxobutanoyloxy)propyl]-(2-prop-2-enoyloxyethyl)azanium
CID 57154510
sulfuric acid;trimethyl(2-prop-2-enoyloxyethyl)azanium
CID 87436586
diethyl-propan-2-yl-(2-prop-2-enoyloxyethyl)azanium bromide
CID 141387980
2-[dimethyl(2-prop-2-enoyloxyethyl)azaniumyl]ethyl-hydroxyphosphinate
CID 172841486

Frequently Asked Questions

What is the IUPAC name of ethyl-dimethyl-(2-prop-2-enoyloxyethyl)azanium iodide?
The IUPAC name of ethyl-dimethyl-(2-prop-2-enoyloxyethyl)azanium iodide (CID 86070106) is ethyl-dimethyl-(2-prop-2-enoyloxyethyl)azanium iodide.
What is the SMILES notation for ethyl-dimethyl-(2-prop-2-enoyloxyethyl)azanium iodide?
The canonical SMILES for ethyl-dimethyl-(2-prop-2-enoyloxyethyl)azanium iodide is C=CC(=O)OCC[N+](C)(C)CC.[I-].
What is the InChIKey of ethyl-dimethyl-(2-prop-2-enoyloxyethyl)azanium iodide?
The InChIKey is TVVMJRQCRSUYET-UHFFFAOYSA-M. The full InChI is InChI=1S/C9H18NO2.HI/c1-5-9(11)12-8-7-10(3,4)6-2;/h5H,1,6-8H2,2-4H3;1H/q+1;/p-1.
What are the key properties of ethyl-dimethyl-(2-prop-2-enoyloxyethyl)azanium iodide?
ethyl-dimethyl-(2-prop-2-enoyloxyethyl)azanium iodide has a molecular weight of 299.15 g/mol, XLogP of -2.18, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl-dimethyl-(2-prop-2-enoyloxyethyl)azanium iodide is sourced from PubChem (CID 86070106), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).