2-(dimethylamino)ethyl 2-methylprop-2-enoate;ethyl acetate

C12H23NO4 — CID 131725052

IUPAC2-(dimethylamino)ethyl 2-methylprop-2-enoate;ethyl acetate
SMILESC=C(C)C(=O)OCCN(C)C.CCOC(C)=O
InChIInChI=1S/C8H15NO2.C4H8O2/c1-7(2)8(10)11-6-5-9(3)4;1-3-6-4(2)5/h1,5-6H2,2-4H3;3H2,1-2H3
InChIKeyBAOZUVVRRWNLMT-UHFFFAOYSA-N
MW245.32 g/mol
LogP1.24
Rot. Bonds5

About 2-(dimethylamino)ethyl 2-methylprop-2-enoate;ethyl acetate

2-(dimethylamino)ethyl 2-methylprop-2-enoate;ethyl acetate (PubChem CID 131725052) has the molecular formula C12H23NO4 and a molecular weight of 245.32 g/mol. Its IUPAC name is 2-(dimethylamino)ethyl 2-methylprop-2-enoate;ethyl acetate.

Molecular Properties

Compound Name2-(dimethylamino)ethyl 2-methylprop-2-enoate;ethyl acetate
PubChem CID131725052
Molecular FormulaC12H23NO4
Molecular Weight245.32 g/mol
Exact Mass245.16
IUPAC Name2-(dimethylamino)ethyl 2-methylprop-2-enoate;ethyl acetate
SMILESC=C(C)C(=O)OCCN(C)C.CCOC(C)=O
InChIInChI=1S/C8H15NO2.C4H8O2/c1-7(2)8(10)11-6-5-9(3)4;1-3-6-4(2)5/h1,5-6H2,2-4H3;3H2,1-2H3
InChIKeyBAOZUVVRRWNLMT-UHFFFAOYSA-N
XLogP1.24
TPSA55.84 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.32
LogP ≤ 51.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-(dimethylamino)ethyl 2-methylprop-2-enoate;hydrazine
CID 161393762
2-(dimethylamino)ethyl 2-methylprop-2-enoate;ethyl 2-hydroxyprop-2-enoate
CID 174893121
2-(dimethylamino)ethyl 2-methylprop-2-enoate;ethanamine;hydrobromide
CID 175228289
2-(dimethylamino)ethyl 2-methylprop-2-enoate;ethane;formaldehyde
CID 142905886
butyl 2-methylprop-2-enoate;2-(dimethylamino)ethyl 2-methylprop-2-enoate
CID 87280234
2-(dimethylamino)ethyl 2-methylprop-2-enoate;ethyl hydrogen sulfate
CID 173011820
butanedioic acid;2-(dimethylamino)ethyl 2-methylprop-2-enoate
CID 19967472
2-[2-acetyloxyethyl(methyl)amino]ethyl 2-methylprop-2-enoate
CID 88902342
2-(dimethylamino)ethyl 2-methylprop-2-enoate;2-hydroxypropyl 2-methylprop-2-enoate
CID 159218034
[3-[2-(dimethylamino)ethoxy]-3-oxopropyl] 2-methylprop-2-enoate
CID 20659289
1-chlorotetradecane;2-(dimethylamino)ethyl 2-methylprop-2-enoate
CID 87743568
ethyl 2-methylprop-2-enoate
CID 130475774

Frequently Asked Questions

What is the IUPAC name of 2-(dimethylamino)ethyl 2-methylprop-2-enoate;ethyl acetate?
The IUPAC name of 2-(dimethylamino)ethyl 2-methylprop-2-enoate;ethyl acetate (CID 131725052) is 2-(dimethylamino)ethyl 2-methylprop-2-enoate;ethyl acetate.
What is the SMILES notation for 2-(dimethylamino)ethyl 2-methylprop-2-enoate;ethyl acetate?
The canonical SMILES for 2-(dimethylamino)ethyl 2-methylprop-2-enoate;ethyl acetate is C=C(C)C(=O)OCCN(C)C.CCOC(C)=O.
What is the InChIKey of 2-(dimethylamino)ethyl 2-methylprop-2-enoate;ethyl acetate?
The InChIKey is BAOZUVVRRWNLMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15NO2.C4H8O2/c1-7(2)8(10)11-6-5-9(3)4;1-3-6-4(2)5/h1,5-6H2,2-4H3;3H2,1-2H3.
What are the key properties of 2-(dimethylamino)ethyl 2-methylprop-2-enoate;ethyl acetate?
2-(dimethylamino)ethyl 2-methylprop-2-enoate;ethyl acetate has a molecular weight of 245.32 g/mol, XLogP of 1.24, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(dimethylamino)ethyl 2-methylprop-2-enoate;ethyl acetate is sourced from PubChem (CID 131725052), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).