2-[dimethyl(prop-2-enyl)azaniumyl]acetate

C7H13NO2 — CID 87969479

IUPAC2-[dimethyl(prop-2-enyl)azaniumyl]acetate
SMILESC=CC[N+](C)(C)CC(=O)[O-]
InChIInChI=1S/C7H13NO2/c1-4-5-8(2,3)6-7(9)10/h4H,1,5-6H2,2-3H3
InChIKeyLUZJOWUMFWKACF-UHFFFAOYSA-N
MW143.19 g/mol
LogP-1.00
Rot. Bonds4

About 2-[dimethyl(prop-2-enyl)azaniumyl]acetate

2-[dimethyl(prop-2-enyl)azaniumyl]acetate (PubChem CID 87969479) has the molecular formula C7H13NO2 and a molecular weight of 143.19 g/mol. Its IUPAC name is 2-[dimethyl(prop-2-enyl)azaniumyl]acetate.

Molecular Properties

Compound Name2-[dimethyl(prop-2-enyl)azaniumyl]acetate
PubChem CID87969479
Molecular FormulaC7H13NO2
Molecular Weight143.19 g/mol
Exact Mass143.09
IUPAC Name2-[dimethyl(prop-2-enyl)azaniumyl]acetate
SMILESC=CC[N+](C)(C)CC(=O)[O-]
InChIInChI=1S/C7H13NO2/c1-4-5-8(2,3)6-7(9)10/h4H,1,5-6H2,2-3H3
InChIKeyLUZJOWUMFWKACF-UHFFFAOYSA-N
XLogP-1.00
TPSA40.13 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500143.19
LogP ≤ 5-1.00
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'}

Analyze 2-[dimethyl(prop-2-enyl)azaniumyl]acetate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

dimethyl-(2-oxo-2-propan-2-yloxyethyl)-prop-2-enylazanium chloride
CID 87835924
dimethyl-bis(prop-2-enyl)azanium nitrate
CID 19988438
dimethyl-bis(prop-2-enyl)azanium;2,2-dimethylpropanoic acid
CID 87375261
dimethyl-bis(prop-2-enyl)azanium;polane;chloride
CID 173045035
dimethyl-bis(prop-2-enyl)azanium;chloride;hydrate
CID 141182046
2-[tri((113C)methyl)azaniumyl]acetate
CID 171379439
carbonic acid;trimethyl(prop-2-enyl)azanium
CID 174635433
2-[(diaminomethylideneamino)methyl-dimethylazaniumyl]acetate
CID 172817724
2-[dimethyl-[2-methyl-2-(prop-2-enoylamino)propyl]azaniumyl]acetate
CID 88537521
2-[dimethyl(3-prop-2-enoyloxypropyl)azaniumyl]acetate
CID 135274056
dimethyl-bis(prop-2-enyl)azanium;ethenolate;ethenyl acetate;hydrochloride
CID 170853127
azane;2-(trimethylazaniumyl)acetate
CID 19995695

Frequently Asked Questions

What is the IUPAC name of 2-[dimethyl(prop-2-enyl)azaniumyl]acetate?
The IUPAC name of 2-[dimethyl(prop-2-enyl)azaniumyl]acetate (CID 87969479) is 2-[dimethyl(prop-2-enyl)azaniumyl]acetate.
What is the SMILES notation for 2-[dimethyl(prop-2-enyl)azaniumyl]acetate?
The canonical SMILES for 2-[dimethyl(prop-2-enyl)azaniumyl]acetate is C=CC[N+](C)(C)CC(=O)[O-].
What is the InChIKey of 2-[dimethyl(prop-2-enyl)azaniumyl]acetate?
The InChIKey is LUZJOWUMFWKACF-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13NO2/c1-4-5-8(2,3)6-7(9)10/h4H,1,5-6H2,2-3H3.
What are the key properties of 2-[dimethyl(prop-2-enyl)azaniumyl]acetate?
2-[dimethyl(prop-2-enyl)azaniumyl]acetate has a molecular weight of 143.19 g/mol, XLogP of -1.00, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[dimethyl(prop-2-enyl)azaniumyl]acetate is sourced from PubChem (CID 87969479), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).