4-ethenylphenol;1-[1-(4-ethenylphenoxy)ethyl]pyrrolidin-2-one

C22H25NO3 — CID 69079143

IUPAC4-ethenylphenol;1-[1-(4-ethenylphenoxy)ethyl]pyrrolidin-2-one
SMILESC=Cc1ccc(O)cc1.C=Cc1ccc(OC(C)N2CCCC2=O)cc1
InChIInChI=1S/C14H17NO2.C8H8O/c1-3-12-6-8-13(9-7-12)17-11(2)15-10-4-5-14(15)16;1-2-7-3-5-8(9)6-4-7/h3,6-9,11H,1,4-5,10H2,2H3;2-6,9H,1H2
InChIKeyLPIOXKFGRYAOGM-UHFFFAOYSA-N
MW351.45 g/mol
LogP4.71
Rot. Bonds5

About 4-ethenylphenol;1-[1-(4-ethenylphenoxy)ethyl]pyrrolidin-2-one

4-ethenylphenol;1-[1-(4-ethenylphenoxy)ethyl]pyrrolidin-2-one (PubChem CID 69079143) has the molecular formula C22H25NO3 and a molecular weight of 351.45 g/mol. Its IUPAC name is 4-ethenylphenol;1-[1-(4-ethenylphenoxy)ethyl]pyrrolidin-2-one.

Molecular Properties

Compound Name4-ethenylphenol;1-[1-(4-ethenylphenoxy)ethyl]pyrrolidin-2-one
PubChem CID69079143
Molecular FormulaC22H25NO3
Molecular Weight351.45 g/mol
Exact Mass351.18
IUPAC Name4-ethenylphenol;1-[1-(4-ethenylphenoxy)ethyl]pyrrolidin-2-one
SMILESC=Cc1ccc(O)cc1.C=Cc1ccc(OC(C)N2CCCC2=O)cc1
InChIInChI=1S/C14H17NO2.C8H8O/c1-3-12-6-8-13(9-7-12)17-11(2)15-10-4-5-14(15)16;1-2-7-3-5-8(9)6-4-7/h3,6-9,11H,1,4-5,10H2,2H3;2-6,9H,1H2
InChIKeyLPIOXKFGRYAOGM-UHFFFAOYSA-N
XLogP4.71
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.45
LogP ≤ 54.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-ethenylphenol;1-[1-(4-ethenylphenoxy)ethyl]pyrrolidin-2-one?
The IUPAC name of 4-ethenylphenol;1-[1-(4-ethenylphenoxy)ethyl]pyrrolidin-2-one (CID 69079143) is 4-ethenylphenol;1-[1-(4-ethenylphenoxy)ethyl]pyrrolidin-2-one.
What is the SMILES notation for 4-ethenylphenol;1-[1-(4-ethenylphenoxy)ethyl]pyrrolidin-2-one?
The canonical SMILES for 4-ethenylphenol;1-[1-(4-ethenylphenoxy)ethyl]pyrrolidin-2-one is C=Cc1ccc(O)cc1.C=Cc1ccc(OC(C)N2CCCC2=O)cc1.
What is the InChIKey of 4-ethenylphenol;1-[1-(4-ethenylphenoxy)ethyl]pyrrolidin-2-one?
The InChIKey is LPIOXKFGRYAOGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17NO2.C8H8O/c1-3-12-6-8-13(9-7-12)17-11(2)15-10-4-5-14(15)16;1-2-7-3-5-8(9)6-4-7/h3,6-9,11H,1,4-5,10H2,2H3;2-6,9H,1H2.
What are the key properties of 4-ethenylphenol;1-[1-(4-ethenylphenoxy)ethyl]pyrrolidin-2-one?
4-ethenylphenol;1-[1-(4-ethenylphenoxy)ethyl]pyrrolidin-2-one has a molecular weight of 351.45 g/mol, XLogP of 4.71, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethenylphenol;1-[1-(4-ethenylphenoxy)ethyl]pyrrolidin-2-one is sourced from PubChem (CID 69079143), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).