1-ethenylpyrrolidin-2-one;2-[2-(2-hydroxyethoxy)ethoxy]ethanol;methyl 2-methylprop-2-enoate;bis(2-methylprop-2-enoic acid)

C25H43NO11 — CID 70559342

About 1-ethenylpyrrolidin-2-one;2-[2-(2-hydroxyethoxy)ethoxy]ethanol;methyl 2-methylprop-2-enoate;bis(2-methylprop-2-enoic acid)

1-ethenylpyrrolidin-2-one;2-[2-(2-hydroxyethoxy)ethoxy]ethanol;methyl 2-methylprop-2-enoate;bis(2-methylprop-2-enoic acid) (PubChem CID 70559342) has the molecular formula C25H43NO11 and a molecular weight of 533.62 g/mol. Its IUPAC name is 1-ethenylpyrrolidin-2-one;2-[2-(2-hydroxyethoxy)ethoxy]ethanol;methyl 2-methylprop-2-enoate;bis(2-methylprop-2-enoic acid).

Molecular Properties

• Compound Name: 1-ethenylpyrrolidin-2-one;2-[2-(2-hydroxyethoxy)ethoxy]ethanol;methyl 2-methylprop-2-enoate;bis(2-methylprop-2-enoic acid)
• PubChem CID: 70559342
• Molecular Formula: C25H43NO11
• Molecular Weight: 533.62 g/mol
• Exact Mass: 533.28
• IUPAC Name: 1-ethenylpyrrolidin-2-one;2-[2-(2-hydroxyethoxy)ethoxy]ethanol;methyl 2-methylprop-2-enoate;bis(2-methylprop-2-enoic acid)
• SMILES: C=C(C)C(=O)O.C=C(C)C(=O)O.C=C(C)C(=O)OC.C=CN1CCCC1=O.OCCOCCOCCO
• InChI: InChI=1S/C6H9NO.C6H14O4.C5H8O2.2C4H6O2/c1-2-7-5-3-4-6(7)8;7-1-3-9-5-6-10-4-2-8;1-4(2)5(6)7-3;2*1-3(2)4(5)6/h2H,1,3-5H2;7-8H,1-6H2;1H2,2-3H3;2*1H2,2H3,(H,5,6)
• InChIKey: WZUXUMGBMDKGAZ-UHFFFAOYSA-N
• XLogP: 1.79
• TPSA: 180.13 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 9
• Rotatable Bonds: 11
• Heavy Atoms: 37
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	533.62
LogP ≤ 5	1.79
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	9

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 1-ethenylpyrrolidin-2-one;2-[2-(2-hydroxyethoxy)ethoxy]ethanol;methyl 2-methylprop-2-enoate;bis(2-methylprop-2-enoic acid)?

The IUPAC name of 1-ethenylpyrrolidin-2-one;2-[2-(2-hydroxyethoxy)ethoxy]ethanol;methyl 2-methylprop-2-enoate;bis(2-methylprop-2-enoic acid) (CID 70559342) is 1-ethenylpyrrolidin-2-one;2-[2-(2-hydroxyethoxy)ethoxy]ethanol;methyl 2-methylprop-2-enoate;bis(2-methylprop-2-enoic acid).

What is the SMILES notation for 1-ethenylpyrrolidin-2-one;2-[2-(2-hydroxyethoxy)ethoxy]ethanol;methyl 2-methylprop-2-enoate;bis(2-methylprop-2-enoic acid)?

The canonical SMILES for 1-ethenylpyrrolidin-2-one;2-[2-(2-hydroxyethoxy)ethoxy]ethanol;methyl 2-methylprop-2-enoate;bis(2-methylprop-2-enoic acid) is C=C(C)C(=O)O.C=C(C)C(=O)O.C=C(C)C(=O)OC.C=CN1CCCC1=O.OCCOCCOCCO.

What is the InChIKey of 1-ethenylpyrrolidin-2-one;2-[2-(2-hydroxyethoxy)ethoxy]ethanol;methyl 2-methylprop-2-enoate;bis(2-methylprop-2-enoic acid)?

The InChIKey is WZUXUMGBMDKGAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9NO.C6H14O4.C5H8O2.2C4H6O2/c1-2-7-5-3-4-6(7)8;7-1-3-9-5-6-10-4-2-8;1-4(2)5(6)7-3;2*1-3(2)4(5)6/h2H,1,3-5H2;7-8H,1-6H2;1H2,2-3H3;2*1H2,2H3,(H,5,6).

What are the key properties of 1-ethenylpyrrolidin-2-one;2-[2-(2-hydroxyethoxy)ethoxy]ethanol;methyl 2-methylprop-2-enoate;bis(2-methylprop-2-enoic acid)?

1-ethenylpyrrolidin-2-one;2-[2-(2-hydroxyethoxy)ethoxy]ethanol;methyl 2-methylprop-2-enoate;bis(2-methylprop-2-enoic acid) has a molecular weight of 533.62 g/mol, XLogP of 1.79, 11 rotatable bonds, 4 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for 1-ethenylpyrrolidin-2-one;2-[2-(2-hydroxyethoxy)ethoxy]ethanol;methyl 2-methylprop-2-enoate;bis(2-methylprop-2-enoic acid) is sourced from PubChem (CID 70559342), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).