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

C13H23NO4 — CID 3080738

IUPAC2-(dimethylamino)ethyl 2-methylprop-2-enoate;methyl 2-methylprop-2-enoate
SMILESC=C(C)C(=O)OC.C=C(C)C(=O)OCCN(C)C
InChIInChI=1S/C8H15NO2.C5H8O2/c1-7(2)8(10)11-6-5-9(3)4;1-4(2)5(6)7-3/h1,5-6H2,2-4H3;1H2,2-3H3
InChIKeyLIMHZMBWISMZJA-UHFFFAOYSA-N
MW257.33 g/mol
LogP1.40
Rot. Bonds5

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

2-(dimethylamino)ethyl 2-methylprop-2-enoate;methyl 2-methylprop-2-enoate (PubChem CID 3080738) has the molecular formula C13H23NO4 and a molecular weight of 257.33 g/mol. Its IUPAC name is 2-(dimethylamino)ethyl 2-methylprop-2-enoate;methyl 2-methylprop-2-enoate.

Molecular Properties

Compound Name2-(dimethylamino)ethyl 2-methylprop-2-enoate;methyl 2-methylprop-2-enoate
PubChem CID3080738
Molecular FormulaC13H23NO4
Molecular Weight257.33 g/mol
Exact Mass257.16
IUPAC Name2-(dimethylamino)ethyl 2-methylprop-2-enoate;methyl 2-methylprop-2-enoate
SMILESC=C(C)C(=O)OC.C=C(C)C(=O)OCCN(C)C
InChIInChI=1S/C8H15NO2.C5H8O2/c1-7(2)8(10)11-6-5-9(3)4;1-4(2)5(6)7-3/h1,5-6H2,2-4H3;1H2,2-3H3
InChIKeyLIMHZMBWISMZJA-UHFFFAOYSA-N
XLogP1.40
TPSA55.84 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.33
LogP ≤ 51.40
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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Frequently Asked Questions

What is the IUPAC name of 2-(dimethylamino)ethyl 2-methylprop-2-enoate;methyl 2-methylprop-2-enoate?
The IUPAC name of 2-(dimethylamino)ethyl 2-methylprop-2-enoate;methyl 2-methylprop-2-enoate (CID 3080738) is 2-(dimethylamino)ethyl 2-methylprop-2-enoate;methyl 2-methylprop-2-enoate.
What is the SMILES notation for 2-(dimethylamino)ethyl 2-methylprop-2-enoate;methyl 2-methylprop-2-enoate?
The canonical SMILES for 2-(dimethylamino)ethyl 2-methylprop-2-enoate;methyl 2-methylprop-2-enoate is C=C(C)C(=O)OC.C=C(C)C(=O)OCCN(C)C.
What is the InChIKey of 2-(dimethylamino)ethyl 2-methylprop-2-enoate;methyl 2-methylprop-2-enoate?
The InChIKey is LIMHZMBWISMZJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15NO2.C5H8O2/c1-7(2)8(10)11-6-5-9(3)4;1-4(2)5(6)7-3/h1,5-6H2,2-4H3;1H2,2-3H3.
What are the key properties of 2-(dimethylamino)ethyl 2-methylprop-2-enoate;methyl 2-methylprop-2-enoate?
2-(dimethylamino)ethyl 2-methylprop-2-enoate;methyl 2-methylprop-2-enoate has a molecular weight of 257.33 g/mol, XLogP of 1.40, 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;methyl 2-methylprop-2-enoate is sourced from PubChem (CID 3080738), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).