ethenyl acetate;2-ethenylpyridine;pyrrolidin-2-one

C15H20N2O3 — CID 174810961

IUPACethenyl acetate;2-ethenylpyridine;pyrrolidin-2-one
SMILESC=COC(C)=O.C=Cc1ccccn1.O=C1CCCN1
InChIInChI=1S/C7H7N.C4H7NO.C4H6O2/c1-2-7-5-3-4-6-8-7;6-4-2-1-3-5-4;1-3-6-4(2)5/h2-6H,1H2;1-3H2,(H,5,6);3H,1H2,2H3
InChIKeyUZVRQFIDZDAURZ-UHFFFAOYSA-N
MW276.34 g/mol
LogP2.31
Rot. Bonds2

About ethenyl acetate;2-ethenylpyridine;pyrrolidin-2-one

ethenyl acetate;2-ethenylpyridine;pyrrolidin-2-one (PubChem CID 174810961) has the molecular formula C15H20N2O3 and a molecular weight of 276.34 g/mol. Its IUPAC name is ethenyl acetate;2-ethenylpyridine;pyrrolidin-2-one.

Molecular Properties

Compound Nameethenyl acetate;2-ethenylpyridine;pyrrolidin-2-one
PubChem CID174810961
Molecular FormulaC15H20N2O3
Molecular Weight276.34 g/mol
Exact Mass276.15
IUPAC Nameethenyl acetate;2-ethenylpyridine;pyrrolidin-2-one
SMILESC=COC(C)=O.C=Cc1ccccn1.O=C1CCCN1
InChIInChI=1S/C7H7N.C4H7NO.C4H6O2/c1-2-7-5-3-4-6-8-7;6-4-2-1-3-5-4;1-3-6-4(2)5/h2-6H,1H2;1-3H2,(H,5,6);3H,1H2,2H3
InChIKeyUZVRQFIDZDAURZ-UHFFFAOYSA-N
XLogP2.31
TPSA68.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.34
LogP ≤ 52.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of ethenyl acetate;2-ethenylpyridine;pyrrolidin-2-one?
The IUPAC name of ethenyl acetate;2-ethenylpyridine;pyrrolidin-2-one (CID 174810961) is ethenyl acetate;2-ethenylpyridine;pyrrolidin-2-one.
What is the SMILES notation for ethenyl acetate;2-ethenylpyridine;pyrrolidin-2-one?
The canonical SMILES for ethenyl acetate;2-ethenylpyridine;pyrrolidin-2-one is C=COC(C)=O.C=Cc1ccccn1.O=C1CCCN1.
What is the InChIKey of ethenyl acetate;2-ethenylpyridine;pyrrolidin-2-one?
The InChIKey is UZVRQFIDZDAURZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7N.C4H7NO.C4H6O2/c1-2-7-5-3-4-6-8-7;6-4-2-1-3-5-4;1-3-6-4(2)5/h2-6H,1H2;1-3H2,(H,5,6);3H,1H2,2H3.
What are the key properties of ethenyl acetate;2-ethenylpyridine;pyrrolidin-2-one?
ethenyl acetate;2-ethenylpyridine;pyrrolidin-2-one has a molecular weight of 276.34 g/mol, XLogP of 2.31, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethenyl acetate;2-ethenylpyridine;pyrrolidin-2-one is sourced from PubChem (CID 174810961), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).