2-(dimethylamino)ethyl 2-methylprop-2-enoate;prop-2-enamide;hydrochloride

C11H21ClN2O3 — CID 88710434

IUPAC2-(dimethylamino)ethyl 2-methylprop-2-enoate;prop-2-enamide;hydrochloride
SMILESC=C(C)C(=O)OCCN(C)C.C=CC(N)=O.Cl
InChIInChI=1S/C8H15NO2.C3H5NO.ClH/c1-7(2)8(10)11-6-5-9(3)4;1-2-3(4)5;/h1,5-6H2,2-4H3;2H,1H2,(H2,4,5);1H
InChIKeyVVIWMCIQKIUEQY-UHFFFAOYSA-N
MW264.75 g/mol
LogP0.75
Rot. Bonds5

About 2-(dimethylamino)ethyl 2-methylprop-2-enoate;prop-2-enamide;hydrochloride

2-(dimethylamino)ethyl 2-methylprop-2-enoate;prop-2-enamide;hydrochloride (PubChem CID 88710434) has the molecular formula C11H21ClN2O3 and a molecular weight of 264.75 g/mol. Its IUPAC name is 2-(dimethylamino)ethyl 2-methylprop-2-enoate;prop-2-enamide;hydrochloride.

Molecular Properties

Compound Name2-(dimethylamino)ethyl 2-methylprop-2-enoate;prop-2-enamide;hydrochloride
PubChem CID88710434
Molecular FormulaC11H21ClN2O3
Molecular Weight264.75 g/mol
Exact Mass264.12
IUPAC Name2-(dimethylamino)ethyl 2-methylprop-2-enoate;prop-2-enamide;hydrochloride
SMILESC=C(C)C(=O)OCCN(C)C.C=CC(N)=O.Cl
InChIInChI=1S/C8H15NO2.C3H5NO.ClH/c1-7(2)8(10)11-6-5-9(3)4;1-2-3(4)5;/h1,5-6H2,2-4H3;2H,1H2,(H2,4,5);1H
InChIKeyVVIWMCIQKIUEQY-UHFFFAOYSA-N
XLogP0.75
TPSA72.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.75
LogP ≤ 50.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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;prop-2-enamide;hydrochloride?
The IUPAC name of 2-(dimethylamino)ethyl 2-methylprop-2-enoate;prop-2-enamide;hydrochloride (CID 88710434) is 2-(dimethylamino)ethyl 2-methylprop-2-enoate;prop-2-enamide;hydrochloride.
What is the SMILES notation for 2-(dimethylamino)ethyl 2-methylprop-2-enoate;prop-2-enamide;hydrochloride?
The canonical SMILES for 2-(dimethylamino)ethyl 2-methylprop-2-enoate;prop-2-enamide;hydrochloride is C=C(C)C(=O)OCCN(C)C.C=CC(N)=O.Cl.
What is the InChIKey of 2-(dimethylamino)ethyl 2-methylprop-2-enoate;prop-2-enamide;hydrochloride?
The InChIKey is VVIWMCIQKIUEQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15NO2.C3H5NO.ClH/c1-7(2)8(10)11-6-5-9(3)4;1-2-3(4)5;/h1,5-6H2,2-4H3;2H,1H2,(H2,4,5);1H.
What are the key properties of 2-(dimethylamino)ethyl 2-methylprop-2-enoate;prop-2-enamide;hydrochloride?
2-(dimethylamino)ethyl 2-methylprop-2-enoate;prop-2-enamide;hydrochloride has a molecular weight of 264.75 g/mol, XLogP of 0.75, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(dimethylamino)ethyl 2-methylprop-2-enoate;prop-2-enamide;hydrochloride is sourced from PubChem (CID 88710434), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).