1-(methylamino)ethyl (E)-3-(3-ethenyl-2-oxopyrrolidin-1-yl)-2-methylprop-2-enoate

C13H20N2O3 — CID 139893688

IUPAC1-(methylamino)ethyl (E)-3-(3-ethenyl-2-oxopyrrolidin-1-yl)-2-methylprop-2-enoate
SMILESC=CC1CCN(/C=C(\C)C(=O)OC(C)NC)C1=O
InChIInChI=1S/C13H20N2O3/c1-5-11-6-7-15(12(11)16)8-9(2)13(17)18-10(3)14-4/h5,8,10-11,14H,1,6-7H2,2-4H3/b9-8+
InChIKeyTUEIZSOQJCYRTG-CMDGGOBGSA-N
MW252.31 g/mol
LogP1.03
Rot. Bonds5

About 1-(methylamino)ethyl (E)-3-(3-ethenyl-2-oxopyrrolidin-1-yl)-2-methylprop-2-enoate

1-(methylamino)ethyl (E)-3-(3-ethenyl-2-oxopyrrolidin-1-yl)-2-methylprop-2-enoate (PubChem CID 139893688) has the molecular formula C13H20N2O3 and a molecular weight of 252.31 g/mol. Its IUPAC name is 1-(methylamino)ethyl (E)-3-(3-ethenyl-2-oxopyrrolidin-1-yl)-2-methylprop-2-enoate.

Molecular Properties

Compound Name1-(methylamino)ethyl (E)-3-(3-ethenyl-2-oxopyrrolidin-1-yl)-2-methylprop-2-enoate
PubChem CID139893688
Molecular FormulaC13H20N2O3
Molecular Weight252.31 g/mol
Exact Mass252.15
IUPAC Name1-(methylamino)ethyl (E)-3-(3-ethenyl-2-oxopyrrolidin-1-yl)-2-methylprop-2-enoate
SMILESC=CC1CCN(/C=C(\C)C(=O)OC(C)NC)C1=O
InChIInChI=1S/C13H20N2O3/c1-5-11-6-7-15(12(11)16)8-9(2)13(17)18-10(3)14-4/h5,8,10-11,14H,1,6-7H2,2-4H3/b9-8+
InChIKeyTUEIZSOQJCYRTG-CMDGGOBGSA-N
XLogP1.03
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.31
LogP ≤ 51.03
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': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

ethenyl acetate;3-(3-ethenyl-2-oxopyrrolidin-1-yl)prop-2-enoic acid
CID 158477857
2-[2-[1-(3-ethenyl-2-oxopyrrolidin-1-yl)-2-(2-methylprop-2-enoyloxy)ethoxy]ethoxy]ethyl 2-methylprop-2-enoate;methyl 2-methylprop-2-enoate
CID 70559340
methyl N-[(3R)-2-oxo-1-prop-2-enylpyrrolidin-3-yl]carbamate
CID 78427620
1-(3-ethenyl-2-oxopyrrolidin-1-yl)ethyl ethyl sulfate
CID 139744958
1-ethenyl-3-propan-2-ylpyrrolidin-2-one
CID 102267367
2-[(1-ethenyl-2-oxopyrrolidine-3-carbonyl)amino]ethyl (Z)-2-methylbut-2-enoate
CID 158590907
3-ethenyl-1-(2-hydroxyethyl)pyrrolidin-2-one;hydrate
CID 175014118
6-[(Z)-2-methylbut-2-enoyl]oxyhexyl 1-ethenyl-2-oxopyrrolidine-3-carboxylate
CID 158590908
3-[(1,3-dioxo-3a,4,5,6,7,7a-hexahydroisoindol-2-yl)oxy]butan-2-yl prop-2-enoate
CID 18934216
2-[3-(2-methylpropyl)-2-oxopyrrolidin-1-yl]pent-4-enoic acid
CID 69316608
2-(dimethylamino)ethyl 2-[(3-ethenyl-2-oxopyrrolidin-1-yl)methyl]prop-2-enoate;dimethyl sulfate
CID 174577966
1-ethenyl-2-oxopyrrolidine-3-carboxamide
CID 134257442

Frequently Asked Questions

What is the IUPAC name of 1-(methylamino)ethyl (E)-3-(3-ethenyl-2-oxopyrrolidin-1-yl)-2-methylprop-2-enoate?
The IUPAC name of 1-(methylamino)ethyl (E)-3-(3-ethenyl-2-oxopyrrolidin-1-yl)-2-methylprop-2-enoate (CID 139893688) is 1-(methylamino)ethyl (E)-3-(3-ethenyl-2-oxopyrrolidin-1-yl)-2-methylprop-2-enoate.
What is the SMILES notation for 1-(methylamino)ethyl (E)-3-(3-ethenyl-2-oxopyrrolidin-1-yl)-2-methylprop-2-enoate?
The canonical SMILES for 1-(methylamino)ethyl (E)-3-(3-ethenyl-2-oxopyrrolidin-1-yl)-2-methylprop-2-enoate is C=CC1CCN(/C=C(\C)C(=O)OC(C)NC)C1=O.
What is the InChIKey of 1-(methylamino)ethyl (E)-3-(3-ethenyl-2-oxopyrrolidin-1-yl)-2-methylprop-2-enoate?
The InChIKey is TUEIZSOQJCYRTG-CMDGGOBGSA-N. The full InChI is InChI=1S/C13H20N2O3/c1-5-11-6-7-15(12(11)16)8-9(2)13(17)18-10(3)14-4/h5,8,10-11,14H,1,6-7H2,2-4H3/b9-8+.
What are the key properties of 1-(methylamino)ethyl (E)-3-(3-ethenyl-2-oxopyrrolidin-1-yl)-2-methylprop-2-enoate?
1-(methylamino)ethyl (E)-3-(3-ethenyl-2-oxopyrrolidin-1-yl)-2-methylprop-2-enoate has a molecular weight of 252.31 g/mol, XLogP of 1.03, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(methylamino)ethyl (E)-3-(3-ethenyl-2-oxopyrrolidin-1-yl)-2-methylprop-2-enoate is sourced from PubChem (CID 139893688), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).