ethenyl acetate;3-ethenylpyrrolidin-2-one

C10H15NO3 — CID 142701411

IUPACethenyl acetate;3-ethenylpyrrolidin-2-one
SMILESC=CC1CCNC1=O.C=COC(C)=O
InChIInChI=1S/C6H9NO.C4H6O2/c1-2-5-3-4-7-6(5)8;1-3-6-4(2)5/h2,5H,1,3-4H2,(H,7,8);3H,1H2,2H3
InChIKeyVXSHUYQVQSRFHK-UHFFFAOYSA-N
MW197.23 g/mol
LogP1.00
Rot. Bonds2

About ethenyl acetate;3-ethenylpyrrolidin-2-one

ethenyl acetate;3-ethenylpyrrolidin-2-one (PubChem CID 142701411) has the molecular formula C10H15NO3 and a molecular weight of 197.23 g/mol. Its IUPAC name is ethenyl acetate;3-ethenylpyrrolidin-2-one.

Molecular Properties

Compound Nameethenyl acetate;3-ethenylpyrrolidin-2-one
PubChem CID142701411
Molecular FormulaC10H15NO3
Molecular Weight197.23 g/mol
Exact Mass197.11
IUPAC Nameethenyl acetate;3-ethenylpyrrolidin-2-one
SMILESC=CC1CCNC1=O.C=COC(C)=O
InChIInChI=1S/C6H9NO.C4H6O2/c1-2-5-3-4-7-6(5)8;1-3-6-4(2)5/h2,5H,1,3-4H2,(H,7,8);3H,1H2,2H3
InChIKeyVXSHUYQVQSRFHK-UHFFFAOYSA-N
XLogP1.00
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.23
LogP ≤ 51.00
H-Bond Donors ≤ 51
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-ethenylpyrrolidin-2-one?
The IUPAC name of ethenyl acetate;3-ethenylpyrrolidin-2-one (CID 142701411) is ethenyl acetate;3-ethenylpyrrolidin-2-one.
What is the SMILES notation for ethenyl acetate;3-ethenylpyrrolidin-2-one?
The canonical SMILES for ethenyl acetate;3-ethenylpyrrolidin-2-one is C=CC1CCNC1=O.C=COC(C)=O.
What is the InChIKey of ethenyl acetate;3-ethenylpyrrolidin-2-one?
The InChIKey is VXSHUYQVQSRFHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9NO.C4H6O2/c1-2-5-3-4-7-6(5)8;1-3-6-4(2)5/h2,5H,1,3-4H2,(H,7,8);3H,1H2,2H3.
What are the key properties of ethenyl acetate;3-ethenylpyrrolidin-2-one?
ethenyl acetate;3-ethenylpyrrolidin-2-one has a molecular weight of 197.23 g/mol, XLogP of 1.00, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethenyl acetate;3-ethenylpyrrolidin-2-one is sourced from PubChem (CID 142701411), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).