2-(dimethylamino)ethyl 2-methylprop-2-enoate;dimethyl sulfate;1-ethenylpyrrolidine

C16H32N2O6S — CID 87532529

IUPAC2-(dimethylamino)ethyl 2-methylprop-2-enoate;dimethyl sulfate;1-ethenylpyrrolidine
SMILESC=C(C)C(=O)OCCN(C)C.C=CN1CCCC1.COS(=O)(=O)OC
InChIInChI=1S/C8H15NO2.C6H11N.C2H6O4S/c1-7(2)8(10)11-6-5-9(3)4;1-2-7-5-3-4-6-7;1-5-7(3,4)6-2/h1,5-6H2,2-4H3;2H,1,3-6H2;1-2H3
InChIKeyVRMBVZTWDCCBOG-UHFFFAOYSA-N
MW380.51 g/mol
LogP1.42
Rot. Bonds7

About 2-(dimethylamino)ethyl 2-methylprop-2-enoate;dimethyl sulfate;1-ethenylpyrrolidine

2-(dimethylamino)ethyl 2-methylprop-2-enoate;dimethyl sulfate;1-ethenylpyrrolidine (PubChem CID 87532529) has the molecular formula C16H32N2O6S and a molecular weight of 380.51 g/mol. Its IUPAC name is 2-(dimethylamino)ethyl 2-methylprop-2-enoate;dimethyl sulfate;1-ethenylpyrrolidine.

Molecular Properties

Compound Name2-(dimethylamino)ethyl 2-methylprop-2-enoate;dimethyl sulfate;1-ethenylpyrrolidine
PubChem CID87532529
Molecular FormulaC16H32N2O6S
Molecular Weight380.51 g/mol
Exact Mass380.20
IUPAC Name2-(dimethylamino)ethyl 2-methylprop-2-enoate;dimethyl sulfate;1-ethenylpyrrolidine
SMILESC=C(C)C(=O)OCCN(C)C.C=CN1CCCC1.COS(=O)(=O)OC
InChIInChI=1S/C8H15NO2.C6H11N.C2H6O4S/c1-7(2)8(10)11-6-5-9(3)4;1-2-7-5-3-4-6-7;1-5-7(3,4)6-2/h1,5-6H2,2-4H3;2H,1,3-6H2;1-2H3
InChIKeyVRMBVZTWDCCBOG-UHFFFAOYSA-N
XLogP1.42
TPSA85.38 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.51
LogP ≤ 51.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

Analyze 2-(dimethylamino)ethyl 2-methylprop-2-enoate;dimethyl sulfate;1-ethenylpyrrolidine 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

2-(dimethylamino)ethyl 2-methylprop-2-enoate;hydrazine
CID 161393762
2-(dimethylamino)ethyl 2-methylprop-2-enoate;ethane;formaldehyde
CID 142905886
2-(dimethylamino)ethyl 2-[(3-ethenyl-2-oxopyrrolidin-1-yl)methyl]prop-2-enoate;dimethyl sulfate
CID 174577966
2-(dimethylamino)ethyl 2-methylprop-2-enoate;ethanamine;hydrobromide
CID 175228289
2-(dimethylamino)ethyl 2-methylprop-2-enoate;ethyl hydrogen sulfate
CID 173011820
butanedioic acid;2-(dimethylamino)ethyl 2-methylprop-2-enoate
CID 19967472
butyl 2-methylprop-2-enoate;2-(dimethylamino)ethyl 2-methylprop-2-enoate
CID 87280234
[3-[2-(dimethylamino)ethoxy]-3-oxopropyl] 2-methylprop-2-enoate
CID 20659289
2-(dimethylamino)ethyl 2-methylprop-2-enoate;ethyl acetate
CID 131725052
2-(dimethylamino)ethyl 2-methylprop-2-enoate;2-hydroxypropyl 2-methylprop-2-enoate
CID 159218034
2-(dimethylamino)ethyl 2-methylprop-2-enoate;ethyl 2-hydroxyprop-2-enoate
CID 174893121
2-(2-methylprop-2-enoyloxy)ethyl pyrrolidine-1-carboxylate
CID 126725740

Frequently Asked Questions

What is the IUPAC name of 2-(dimethylamino)ethyl 2-methylprop-2-enoate;dimethyl sulfate;1-ethenylpyrrolidine?
The IUPAC name of 2-(dimethylamino)ethyl 2-methylprop-2-enoate;dimethyl sulfate;1-ethenylpyrrolidine (CID 87532529) is 2-(dimethylamino)ethyl 2-methylprop-2-enoate;dimethyl sulfate;1-ethenylpyrrolidine.
What is the SMILES notation for 2-(dimethylamino)ethyl 2-methylprop-2-enoate;dimethyl sulfate;1-ethenylpyrrolidine?
The canonical SMILES for 2-(dimethylamino)ethyl 2-methylprop-2-enoate;dimethyl sulfate;1-ethenylpyrrolidine is C=C(C)C(=O)OCCN(C)C.C=CN1CCCC1.COS(=O)(=O)OC.
What is the InChIKey of 2-(dimethylamino)ethyl 2-methylprop-2-enoate;dimethyl sulfate;1-ethenylpyrrolidine?
The InChIKey is VRMBVZTWDCCBOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15NO2.C6H11N.C2H6O4S/c1-7(2)8(10)11-6-5-9(3)4;1-2-7-5-3-4-6-7;1-5-7(3,4)6-2/h1,5-6H2,2-4H3;2H,1,3-6H2;1-2H3.
What are the key properties of 2-(dimethylamino)ethyl 2-methylprop-2-enoate;dimethyl sulfate;1-ethenylpyrrolidine?
2-(dimethylamino)ethyl 2-methylprop-2-enoate;dimethyl sulfate;1-ethenylpyrrolidine has a molecular weight of 380.51 g/mol, XLogP of 1.42, 7 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(dimethylamino)ethyl 2-methylprop-2-enoate;dimethyl sulfate;1-ethenylpyrrolidine is sourced from PubChem (CID 87532529), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).