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

C25H37NO9 — CID 70559340

About 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

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 (PubChem CID 70559340) has the molecular formula C25H37NO9 and a molecular weight of 495.57 g/mol. Its IUPAC name is 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.

Molecular Properties

• Compound Name: 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
• PubChem CID: 70559340
• Molecular Formula: C25H37NO9
• Molecular Weight: 495.57 g/mol
• Exact Mass: 495.25
• IUPAC Name: 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
• SMILES: C=C(C)C(=O)OC.C=CC1CCN(C(COC(=O)C(=C)C)OCCOCCOC(=O)C(=C)C)C1=O
• InChI: InChI=1S/C20H29NO7.C5H8O2/c1-6-16-7-8-21(18(16)22)17(13-28-20(24)15(4)5)26-11-9-25-10-12-27-19(23)14(2)3;1-4(2)5(6)7-3/h6,16-17H,1-2,4,7-13H2,3,5H3;1H2,2-3H3
• InChIKey: ZZMDURPKXUFLLJ-UHFFFAOYSA-N
• XLogP: 2.35
• TPSA: 117.67 Ų
• H-Bond Acceptors: 9
• Rotatable Bonds: 14
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	495.57
LogP ≤ 5	2.35
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	9

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 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?

The IUPAC name of 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) is 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.

What is the SMILES notation for 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?

The canonical SMILES for 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 is C=C(C)C(=O)OC.C=CC1CCN(C(COC(=O)C(=C)C)OCCOCCOC(=O)C(=C)C)C1=O.

What is the InChIKey of 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?

The InChIKey is ZZMDURPKXUFLLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H29NO7.C5H8O2/c1-6-16-7-8-21(18(16)22)17(13-28-20(24)15(4)5)26-11-9-25-10-12-27-19(23)14(2)3;1-4(2)5(6)7-3/h6,16-17H,1-2,4,7-13H2,3,5H3;1H2,2-3H3.

What are the key properties of 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?

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 has a molecular weight of 495.57 g/mol, XLogP of 2.35, 14 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for 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 is sourced from PubChem (CID 70559340), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).