ethenyl acetate;3-ethenyl-1-methylpyrrolidin-2-one

C11H17NO3 — CID 22226132

IUPACethenyl acetate;3-ethenyl-1-methylpyrrolidin-2-one
SMILESC=CC1CCN(C)C1=O.C=COC(C)=O
InChIInChI=1S/C7H11NO.C4H6O2/c1-3-6-4-5-8(2)7(6)9;1-3-6-4(2)5/h3,6H,1,4-5H2,2H3;3H,1H2,2H3
InChIKeyZDAHCDHIJRBPPH-UHFFFAOYSA-N
MW211.26 g/mol
LogP1.34
Rot. Bonds2

About ethenyl acetate;3-ethenyl-1-methylpyrrolidin-2-one

ethenyl acetate;3-ethenyl-1-methylpyrrolidin-2-one (PubChem CID 22226132) has the molecular formula C11H17NO3 and a molecular weight of 211.26 g/mol. Its IUPAC name is ethenyl acetate;3-ethenyl-1-methylpyrrolidin-2-one.

Molecular Properties

Compound Nameethenyl acetate;3-ethenyl-1-methylpyrrolidin-2-one
PubChem CID22226132
Molecular FormulaC11H17NO3
Molecular Weight211.26 g/mol
Exact Mass211.12
IUPAC Nameethenyl acetate;3-ethenyl-1-methylpyrrolidin-2-one
SMILESC=CC1CCN(C)C1=O.C=COC(C)=O
InChIInChI=1S/C7H11NO.C4H6O2/c1-3-6-4-5-8(2)7(6)9;1-3-6-4(2)5/h3,6H,1,4-5H2,2H3;3H,1H2,2H3
InChIKeyZDAHCDHIJRBPPH-UHFFFAOYSA-N
XLogP1.34
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.26
LogP ≤ 51.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of ethenyl acetate;3-ethenyl-1-methylpyrrolidin-2-one?
The IUPAC name of ethenyl acetate;3-ethenyl-1-methylpyrrolidin-2-one (CID 22226132) is ethenyl acetate;3-ethenyl-1-methylpyrrolidin-2-one.
What is the SMILES notation for ethenyl acetate;3-ethenyl-1-methylpyrrolidin-2-one?
The canonical SMILES for ethenyl acetate;3-ethenyl-1-methylpyrrolidin-2-one is C=CC1CCN(C)C1=O.C=COC(C)=O.
What is the InChIKey of ethenyl acetate;3-ethenyl-1-methylpyrrolidin-2-one?
The InChIKey is ZDAHCDHIJRBPPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11NO.C4H6O2/c1-3-6-4-5-8(2)7(6)9;1-3-6-4(2)5/h3,6H,1,4-5H2,2H3;3H,1H2,2H3.
What are the key properties of ethenyl acetate;3-ethenyl-1-methylpyrrolidin-2-one?
ethenyl acetate;3-ethenyl-1-methylpyrrolidin-2-one has a molecular weight of 211.26 g/mol, XLogP of 1.34, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethenyl acetate;3-ethenyl-1-methylpyrrolidin-2-one is sourced from PubChem (CID 22226132), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).