1-ethenylpyrrolidin-2-one;1-(methylamino)ethyl 2-methylprop-2-enoate

C13H22N2O3 — CID 18402718

IUPAC1-ethenylpyrrolidin-2-one;1-(methylamino)ethyl 2-methylprop-2-enoate
SMILESC=C(C)C(=O)OC(C)NC.C=CN1CCCC1=O
InChIInChI=1S/C7H13NO2.C6H9NO/c1-5(2)7(9)10-6(3)8-4;1-2-7-5-3-4-6(7)8/h6,8H,1H2,2-4H3;2H,1,3-5H2
InChIKeyGELYLKDJYJHFSD-UHFFFAOYSA-N
MW254.33 g/mol
LogP1.42
Rot. Bonds4

About 1-ethenylpyrrolidin-2-one;1-(methylamino)ethyl 2-methylprop-2-enoate

1-ethenylpyrrolidin-2-one;1-(methylamino)ethyl 2-methylprop-2-enoate (PubChem CID 18402718) has the molecular formula C13H22N2O3 and a molecular weight of 254.33 g/mol. Its IUPAC name is 1-ethenylpyrrolidin-2-one;1-(methylamino)ethyl 2-methylprop-2-enoate.

Molecular Properties

Compound Name1-ethenylpyrrolidin-2-one;1-(methylamino)ethyl 2-methylprop-2-enoate
PubChem CID18402718
Molecular FormulaC13H22N2O3
Molecular Weight254.33 g/mol
Exact Mass254.16
IUPAC Name1-ethenylpyrrolidin-2-one;1-(methylamino)ethyl 2-methylprop-2-enoate
SMILESC=C(C)C(=O)OC(C)NC.C=CN1CCCC1=O
InChIInChI=1S/C7H13NO2.C6H9NO/c1-5(2)7(9)10-6(3)8-4;1-2-7-5-3-4-6(7)8/h6,8H,1H2,2-4H3;2H,1,3-5H2
InChIKeyGELYLKDJYJHFSD-UHFFFAOYSA-N
XLogP1.42
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.33
LogP ≤ 51.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-ethenylpyrrolidin-2-one;1-(methylamino)ethyl 2-methylprop-2-enoate?
The IUPAC name of 1-ethenylpyrrolidin-2-one;1-(methylamino)ethyl 2-methylprop-2-enoate (CID 18402718) is 1-ethenylpyrrolidin-2-one;1-(methylamino)ethyl 2-methylprop-2-enoate.
What is the SMILES notation for 1-ethenylpyrrolidin-2-one;1-(methylamino)ethyl 2-methylprop-2-enoate?
The canonical SMILES for 1-ethenylpyrrolidin-2-one;1-(methylamino)ethyl 2-methylprop-2-enoate is C=C(C)C(=O)OC(C)NC.C=CN1CCCC1=O.
What is the InChIKey of 1-ethenylpyrrolidin-2-one;1-(methylamino)ethyl 2-methylprop-2-enoate?
The InChIKey is GELYLKDJYJHFSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13NO2.C6H9NO/c1-5(2)7(9)10-6(3)8-4;1-2-7-5-3-4-6(7)8/h6,8H,1H2,2-4H3;2H,1,3-5H2.
What are the key properties of 1-ethenylpyrrolidin-2-one;1-(methylamino)ethyl 2-methylprop-2-enoate?
1-ethenylpyrrolidin-2-one;1-(methylamino)ethyl 2-methylprop-2-enoate has a molecular weight of 254.33 g/mol, XLogP of 1.42, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethenylpyrrolidin-2-one;1-(methylamino)ethyl 2-methylprop-2-enoate is sourced from PubChem (CID 18402718), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).