dimethyl-(2-oxo-2-propan-2-yloxyethyl)-prop-2-enylazanium chloride

C10H20ClNO2 — CID 87835924

IUPACdimethyl-(2-oxo-2-propan-2-yloxyethyl)-prop-2-enylazanium chloride
SMILESC=CC[N+](C)(C)CC(=O)OC(C)C.[Cl-]
InChIInChI=1S/C10H20NO2.ClH/c1-6-7-11(4,5)8-10(12)13-9(2)3;/h6,9H,1,7-8H2,2-5H3;1H/q+1;/p-1
InChIKeyPPSMHHUDUVXYQO-UHFFFAOYSA-M
MW221.73 g/mol
LogP-1.80
Rot. Bonds5

About dimethyl-(2-oxo-2-propan-2-yloxyethyl)-prop-2-enylazanium chloride

dimethyl-(2-oxo-2-propan-2-yloxyethyl)-prop-2-enylazanium chloride (PubChem CID 87835924) has the molecular formula C10H20ClNO2 and a molecular weight of 221.73 g/mol. Its IUPAC name is dimethyl-(2-oxo-2-propan-2-yloxyethyl)-prop-2-enylazanium chloride.

Molecular Properties

Compound Namedimethyl-(2-oxo-2-propan-2-yloxyethyl)-prop-2-enylazanium chloride
PubChem CID87835924
Molecular FormulaC10H20ClNO2
Molecular Weight221.73 g/mol
Exact Mass221.12
IUPAC Namedimethyl-(2-oxo-2-propan-2-yloxyethyl)-prop-2-enylazanium chloride
SMILESC=CC[N+](C)(C)CC(=O)OC(C)C.[Cl-]
InChIInChI=1S/C10H20NO2.ClH/c1-6-7-11(4,5)8-10(12)13-9(2)3;/h6,9H,1,7-8H2,2-5H3;1H/q+1;/p-1
InChIKeyPPSMHHUDUVXYQO-UHFFFAOYSA-M
XLogP-1.80
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.73
LogP ≤ 5-1.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-[dimethyl(prop-2-enyl)azaniumyl]acetate
CID 87969479
dimethyl-bis(prop-2-enyl)azanium;polane;chloride
CID 173045035
dimethyl-bis(prop-2-enyl)azanium;chloride;hydrate
CID 141182046
dimethyl-bis(prop-2-enyl)azanium;ethenolate;ethenyl acetate;hydrochloride
CID 170853127
dimethyl-bis(prop-2-enyl)azanium;2,2-dimethylpropanoic acid
CID 87375261
1-hydroxyethyl-dimethyl-prop-2-enylazanium chloride
CID 21429944
dimethyl-[2-oxo-2-[[(1R,2S,4S)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl]oxy]ethyl]-prop-2-enylazanium
CID 98132627
benzyl-dimethyl-(2-oxo-2-prop-2-enoxyethyl)azanium chloride
CID 126476885
dimethyl-bis(prop-2-enyl)azanium;prop-2-en-1-amine;chloride
CID 174192098
carbonic acid;trimethyl(prop-2-enyl)azanium
CID 174635433
propan-2-yl (E)-2-prop-2-enoxybut-2-enoate
CID 25228919
propan-2-yl N-methyl-N-prop-2-enylcarbamate
CID 116657045

Frequently Asked Questions

What is the IUPAC name of dimethyl-(2-oxo-2-propan-2-yloxyethyl)-prop-2-enylazanium chloride?
The IUPAC name of dimethyl-(2-oxo-2-propan-2-yloxyethyl)-prop-2-enylazanium chloride (CID 87835924) is dimethyl-(2-oxo-2-propan-2-yloxyethyl)-prop-2-enylazanium chloride.
What is the SMILES notation for dimethyl-(2-oxo-2-propan-2-yloxyethyl)-prop-2-enylazanium chloride?
The canonical SMILES for dimethyl-(2-oxo-2-propan-2-yloxyethyl)-prop-2-enylazanium chloride is C=CC[N+](C)(C)CC(=O)OC(C)C.[Cl-].
What is the InChIKey of dimethyl-(2-oxo-2-propan-2-yloxyethyl)-prop-2-enylazanium chloride?
The InChIKey is PPSMHHUDUVXYQO-UHFFFAOYSA-M. The full InChI is InChI=1S/C10H20NO2.ClH/c1-6-7-11(4,5)8-10(12)13-9(2)3;/h6,9H,1,7-8H2,2-5H3;1H/q+1;/p-1.
What are the key properties of dimethyl-(2-oxo-2-propan-2-yloxyethyl)-prop-2-enylazanium chloride?
dimethyl-(2-oxo-2-propan-2-yloxyethyl)-prop-2-enylazanium chloride has a molecular weight of 221.73 g/mol, XLogP of -1.80, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for dimethyl-(2-oxo-2-propan-2-yloxyethyl)-prop-2-enylazanium chloride is sourced from PubChem (CID 87835924), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).