ethoxy-methyl-prop-2-enoyloxy-propylazanium chloride

C9H18ClNO3 — CID 174456645

IUPACethoxy-methyl-prop-2-enoyloxy-propylazanium chloride
SMILESC=CC(=O)O[N+](C)(CCC)OCC.[Cl-]
InChIInChI=1S/C9H18NO3.ClH/c1-5-8-10(4,12-7-3)13-9(11)6-2;/h6H,2,5,7-8H2,1,3-4H3;1H/q+1;/p-1
InChIKeyJEWXQANNMOHKER-UHFFFAOYSA-M
MW223.70 g/mol
LogP-1.56
Rot. Bonds6

About ethoxy-methyl-prop-2-enoyloxy-propylazanium chloride

ethoxy-methyl-prop-2-enoyloxy-propylazanium chloride (PubChem CID 174456645) has the molecular formula C9H18ClNO3 and a molecular weight of 223.70 g/mol. Its IUPAC name is ethoxy-methyl-prop-2-enoyloxy-propylazanium chloride.

Molecular Properties

Compound Nameethoxy-methyl-prop-2-enoyloxy-propylazanium chloride
PubChem CID174456645
Molecular FormulaC9H18ClNO3
Molecular Weight223.70 g/mol
Exact Mass223.10
IUPAC Nameethoxy-methyl-prop-2-enoyloxy-propylazanium chloride
SMILESC=CC(=O)O[N+](C)(CCC)OCC.[Cl-]
InChIInChI=1S/C9H18NO3.ClH/c1-5-8-10(4,12-7-3)13-9(11)6-2;/h6H,2,5,7-8H2,1,3-4H3;1H/q+1;/p-1
InChIKeyJEWXQANNMOHKER-UHFFFAOYSA-M
XLogP-1.56
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.70
LogP ≤ 5-1.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_2', 'substructure': 'N/A'}

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Related Compounds

2-hydroxyethyl-methyl-prop-2-enoyloxy-propylazanium
CID 175241637
ethoxy-dimethyl-(2-prop-2-enoyloxyethyl)azanium chloride
CID 174937508
trimethyl(prop-2-enoyloxy)azanium bromide
CID 163213351
ethyl prop-2-enoate;sulfane
CID 157093783
prop-2-enoate;bis(trimethyl(propyl)azanium);chloride
CID 161434994
ethyl prop-2-enoate;ethyl(trimethyl)azanium
CID 175893941
ethenamine;ethyl prop-2-enoate
CID 22022699
ethyl prop-2-enoate;hydroiodide
CID 159738872
ethyl prop-2-enoate;hydrochloride
CID 87359594
dimethyl-propan-2-yl-prop-2-enoyloxyazanium
CID 88724521
dimethyl-pentyl-(1-prop-2-enoyloxyethyl)azanium chloride
CID 171783670
2-methylprop-2-enamide;methyl prop-2-enoate;prop-2-enoic acid;trimethyl(propyl)azanium;chloride
CID 161415798

Frequently Asked Questions

What is the IUPAC name of ethoxy-methyl-prop-2-enoyloxy-propylazanium chloride?
The IUPAC name of ethoxy-methyl-prop-2-enoyloxy-propylazanium chloride (CID 174456645) is ethoxy-methyl-prop-2-enoyloxy-propylazanium chloride.
What is the SMILES notation for ethoxy-methyl-prop-2-enoyloxy-propylazanium chloride?
The canonical SMILES for ethoxy-methyl-prop-2-enoyloxy-propylazanium chloride is C=CC(=O)O[N+](C)(CCC)OCC.[Cl-].
What is the InChIKey of ethoxy-methyl-prop-2-enoyloxy-propylazanium chloride?
The InChIKey is JEWXQANNMOHKER-UHFFFAOYSA-M. The full InChI is InChI=1S/C9H18NO3.ClH/c1-5-8-10(4,12-7-3)13-9(11)6-2;/h6H,2,5,7-8H2,1,3-4H3;1H/q+1;/p-1.
What are the key properties of ethoxy-methyl-prop-2-enoyloxy-propylazanium chloride?
ethoxy-methyl-prop-2-enoyloxy-propylazanium chloride has a molecular weight of 223.70 g/mol, XLogP of -1.56, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethoxy-methyl-prop-2-enoyloxy-propylazanium chloride is sourced from PubChem (CID 174456645), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).