dimethyl(2-prop-2-enoyloxypropyl)azanium chloride

C8H16ClNO2 — CID 71773601

IUPACdimethyl(2-prop-2-enoyloxypropyl)azanium chloride
SMILESC=CC(=O)OC(C)C[NH+](C)C.[Cl-]
InChIInChI=1S/C8H15NO2.ClH/c1-5-8(10)11-7(2)6-9(3)4;/h5,7H,1,6H2,2-4H3;1H
InChIKeySYOHJEVNAVXJNP-UHFFFAOYSA-N
MW193.67 g/mol
LogP-3.75
Rot. Bonds4

About dimethyl(2-prop-2-enoyloxypropyl)azanium chloride

dimethyl(2-prop-2-enoyloxypropyl)azanium chloride (PubChem CID 71773601) has the molecular formula C8H16ClNO2 and a molecular weight of 193.67 g/mol. Its IUPAC name is dimethyl(2-prop-2-enoyloxypropyl)azanium chloride.

Molecular Properties

Compound Namedimethyl(2-prop-2-enoyloxypropyl)azanium chloride
PubChem CID71773601
Molecular FormulaC8H16ClNO2
Molecular Weight193.67 g/mol
Exact Mass193.09
IUPAC Namedimethyl(2-prop-2-enoyloxypropyl)azanium chloride
SMILESC=CC(=O)OC(C)C[NH+](C)C.[Cl-]
InChIInChI=1S/C8H15NO2.ClH/c1-5-8(10)11-7(2)6-9(3)4;/h5,7H,1,6H2,2-4H3;1H
InChIKeySYOHJEVNAVXJNP-UHFFFAOYSA-N
XLogP-3.75
TPSA30.74 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.67
LogP ≤ 5-3.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of dimethyl(2-prop-2-enoyloxypropyl)azanium chloride?
The IUPAC name of dimethyl(2-prop-2-enoyloxypropyl)azanium chloride (CID 71773601) is dimethyl(2-prop-2-enoyloxypropyl)azanium chloride.
What is the SMILES notation for dimethyl(2-prop-2-enoyloxypropyl)azanium chloride?
The canonical SMILES for dimethyl(2-prop-2-enoyloxypropyl)azanium chloride is C=CC(=O)OC(C)C[NH+](C)C.[Cl-].
What is the InChIKey of dimethyl(2-prop-2-enoyloxypropyl)azanium chloride?
The InChIKey is SYOHJEVNAVXJNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15NO2.ClH/c1-5-8(10)11-7(2)6-9(3)4;/h5,7H,1,6H2,2-4H3;1H.
What are the key properties of dimethyl(2-prop-2-enoyloxypropyl)azanium chloride?
dimethyl(2-prop-2-enoyloxypropyl)azanium chloride has a molecular weight of 193.67 g/mol, XLogP of -3.75, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for dimethyl(2-prop-2-enoyloxypropyl)azanium chloride is sourced from PubChem (CID 71773601), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).