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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Related Compounds

4-[(E)-2-phenyl-1-[4-(2-pyrrolidin-1-ylethoxy)phenyl]prop-1-enyl]phenol
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Ailanthamide
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3-(4-Cyclohexyloxyphenyl)-1-pyrrolidin-1-ylpropan-1-one
CID 155528450
3-hydroxy-2-methyl-6-[(E)-2-[4-(3-pyrrolidin-1-ylpropoxy)phenyl]ethenyl]pyran-4-one
CID 164624277
(E)-3-[4-(1-phenylethoxy)phenyl]-N,N-dipropylbut-2-enamide
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4-[(E)-1-[4-(2-pyrrolidin-1-ylethoxy)phenyl]hept-1-enyl]phenol
CID 10595901
(E)-N,N-diethyl-3-(4-phenylmethoxyphenyl)but-2-enamide
CID 10615917
(E)-8-(4-methoxyphenyl)-7-phenyl-1-pyrrolidin-1-ylnon-7-en-1-one
CID 156011523
1-[[4-[2-(4-Ethoxyphenyl)ethynyl]phenyl]methyl]pyrrolidin-2-one
CID 56925025
N-methyl-2-[4-[(Z)-oct-2-enoxy]phenyl]-N-(2-phenylethyl)acetamide
CID 10571784
N-[2-(2,4-dimethylphenoxy)ethyl]-N-methyl-4-(2-oxopyrrolidin-1-yl)butanamide
CID 50977075
(3Z)-1-butan-2-yl-3-[(4-ethoxyphenyl)-hydroxymethylidene]pyrrolidine-2,4-dione
CID 54705481

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).