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

C12H17NO3 — CID 90862551

IUPACethyl 3-(1-ethenyl-2-oxopyrrolidin-3-yl)-2-methylprop-2-enoate
SMILESC=CN1CCC(C=C(C)C(=O)OCC)C1=O
InChIInChI=1S/C12H17NO3/c1-4-13-7-6-10(11(13)14)8-9(3)12(15)16-5-2/h4,8,10H,1,5-7H2,2-3H3
InChIKeyAXXUHSXHNIICEW-UHFFFAOYSA-N
MW223.27 g/mol
LogP1.49
Rot. Bonds4

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

ethyl 3-(1-ethenyl-2-oxopyrrolidin-3-yl)-2-methylprop-2-enoate (PubChem CID 90862551) has the molecular formula C12H17NO3 and a molecular weight of 223.27 g/mol. Its IUPAC name is ethyl 3-(1-ethenyl-2-oxopyrrolidin-3-yl)-2-methylprop-2-enoate.

Molecular Properties

Compound Nameethyl 3-(1-ethenyl-2-oxopyrrolidin-3-yl)-2-methylprop-2-enoate
PubChem CID90862551
Molecular FormulaC12H17NO3
Molecular Weight223.27 g/mol
Exact Mass223.12
IUPAC Nameethyl 3-(1-ethenyl-2-oxopyrrolidin-3-yl)-2-methylprop-2-enoate
SMILESC=CN1CCC(C=C(C)C(=O)OCC)C1=O
InChIInChI=1S/C12H17NO3/c1-4-13-7-6-10(11(13)14)8-9(3)12(15)16-5-2/h4,8,10H,1,5-7H2,2-3H3
InChIKeyAXXUHSXHNIICEW-UHFFFAOYSA-N
XLogP1.49
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.27
LogP ≤ 51.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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 ethyl 3-(1-ethenyl-2-oxopyrrolidin-3-yl)-2-methylprop-2-enoate?
The IUPAC name of ethyl 3-(1-ethenyl-2-oxopyrrolidin-3-yl)-2-methylprop-2-enoate (CID 90862551) is ethyl 3-(1-ethenyl-2-oxopyrrolidin-3-yl)-2-methylprop-2-enoate.
What is the SMILES notation for ethyl 3-(1-ethenyl-2-oxopyrrolidin-3-yl)-2-methylprop-2-enoate?
The canonical SMILES for ethyl 3-(1-ethenyl-2-oxopyrrolidin-3-yl)-2-methylprop-2-enoate is C=CN1CCC(C=C(C)C(=O)OCC)C1=O.
What is the InChIKey of ethyl 3-(1-ethenyl-2-oxopyrrolidin-3-yl)-2-methylprop-2-enoate?
The InChIKey is AXXUHSXHNIICEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17NO3/c1-4-13-7-6-10(11(13)14)8-9(3)12(15)16-5-2/h4,8,10H,1,5-7H2,2-3H3.
What are the key properties of ethyl 3-(1-ethenyl-2-oxopyrrolidin-3-yl)-2-methylprop-2-enoate?
ethyl 3-(1-ethenyl-2-oxopyrrolidin-3-yl)-2-methylprop-2-enoate has a molecular weight of 223.27 g/mol, XLogP of 1.49, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-(1-ethenyl-2-oxopyrrolidin-3-yl)-2-methylprop-2-enoate is sourced from PubChem (CID 90862551), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).