2-(dimethylamino)ethyl 2-methylprop-2-enoate;pyrrolidin-2-one

C12H22N2O3 — CID 66823266

IUPAC2-(dimethylamino)ethyl 2-methylprop-2-enoate;pyrrolidin-2-one
SMILESC=C(C)C(=O)OCCN(C)C.O=C1CCCN1
InChIInChI=1S/C8H15NO2.C4H7NO/c1-7(2)8(10)11-6-5-9(3)4;6-4-2-1-3-5-4/h1,5-6H2,2-4H3;1-3H2,(H,5,6)
InChIKeyYMEIFRNAMMXCSO-UHFFFAOYSA-N
MW242.32 g/mol
LogP0.56
Rot. Bonds4

About 2-(dimethylamino)ethyl 2-methylprop-2-enoate;pyrrolidin-2-one

2-(dimethylamino)ethyl 2-methylprop-2-enoate;pyrrolidin-2-one (PubChem CID 66823266) has the molecular formula C12H22N2O3 and a molecular weight of 242.32 g/mol. Its IUPAC name is 2-(dimethylamino)ethyl 2-methylprop-2-enoate;pyrrolidin-2-one.

Molecular Properties

Compound Name2-(dimethylamino)ethyl 2-methylprop-2-enoate;pyrrolidin-2-one
PubChem CID66823266
Molecular FormulaC12H22N2O3
Molecular Weight242.32 g/mol
Exact Mass242.16
IUPAC Name2-(dimethylamino)ethyl 2-methylprop-2-enoate;pyrrolidin-2-one
SMILESC=C(C)C(=O)OCCN(C)C.O=C1CCCN1
InChIInChI=1S/C8H15NO2.C4H7NO/c1-7(2)8(10)11-6-5-9(3)4;6-4-2-1-3-5-4/h1,5-6H2,2-4H3;1-3H2,(H,5,6)
InChIKeyYMEIFRNAMMXCSO-UHFFFAOYSA-N
XLogP0.56
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.32
LogP ≤ 50.56
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;pyrrolidin-2-one?
The IUPAC name of 2-(dimethylamino)ethyl 2-methylprop-2-enoate;pyrrolidin-2-one (CID 66823266) is 2-(dimethylamino)ethyl 2-methylprop-2-enoate;pyrrolidin-2-one.
What is the SMILES notation for 2-(dimethylamino)ethyl 2-methylprop-2-enoate;pyrrolidin-2-one?
The canonical SMILES for 2-(dimethylamino)ethyl 2-methylprop-2-enoate;pyrrolidin-2-one is C=C(C)C(=O)OCCN(C)C.O=C1CCCN1.
What is the InChIKey of 2-(dimethylamino)ethyl 2-methylprop-2-enoate;pyrrolidin-2-one?
The InChIKey is YMEIFRNAMMXCSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15NO2.C4H7NO/c1-7(2)8(10)11-6-5-9(3)4;6-4-2-1-3-5-4/h1,5-6H2,2-4H3;1-3H2,(H,5,6).
What are the key properties of 2-(dimethylamino)ethyl 2-methylprop-2-enoate;pyrrolidin-2-one?
2-(dimethylamino)ethyl 2-methylprop-2-enoate;pyrrolidin-2-one has a molecular weight of 242.32 g/mol, XLogP of 0.56, 4 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;pyrrolidin-2-one is sourced from PubChem (CID 66823266), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).