4-hydroxy-1-[3-(2-methylprop-2-enoxy)phenyl]pyrrolidin-2-one

C14H17NO3 — CID 168701900

IUPAC4-hydroxy-1-[3-(2-methylprop-2-enoxy)phenyl]pyrrolidin-2-one
SMILESC=C(C)COc1cccc(N2CC(O)CC2=O)c1
InChIInChI=1S/C14H17NO3/c1-10(2)9-18-13-5-3-4-11(6-13)15-8-12(16)7-14(15)17/h3-6,12,16H,1,7-9H2,2H3
InChIKeyZXDWAWNXRKPJHH-UHFFFAOYSA-N
MW247.29 g/mol
LogP1.74
Rot. Bonds4

About 4-hydroxy-1-[3-(2-methylprop-2-enoxy)phenyl]pyrrolidin-2-one

4-hydroxy-1-[3-(2-methylprop-2-enoxy)phenyl]pyrrolidin-2-one (PubChem CID 168701900) has the molecular formula C14H17NO3 and a molecular weight of 247.29 g/mol. Its IUPAC name is 4-hydroxy-1-[3-(2-methylprop-2-enoxy)phenyl]pyrrolidin-2-one.

Molecular Properties

Compound Name4-hydroxy-1-[3-(2-methylprop-2-enoxy)phenyl]pyrrolidin-2-one
PubChem CID168701900
Molecular FormulaC14H17NO3
Molecular Weight247.29 g/mol
Exact Mass247.12
IUPAC Name4-hydroxy-1-[3-(2-methylprop-2-enoxy)phenyl]pyrrolidin-2-one
SMILESC=C(C)COc1cccc(N2CC(O)CC2=O)c1
InChIInChI=1S/C14H17NO3/c1-10(2)9-18-13-5-3-4-11(6-13)15-8-12(16)7-14(15)17/h3-6,12,16H,1,7-9H2,2H3
InChIKeyZXDWAWNXRKPJHH-UHFFFAOYSA-N
XLogP1.74
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.29
LogP ≤ 51.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

1-[3-(2-methylprop-2-enoxy)phenyl]-5-oxopyrrolidine-3-sulfonamide
CID 168716937
[1-[3-(2-methylprop-2-enoxy)phenyl]-5-oxopyrrolidin-3-yl]methanesulfonyl chloride
CID 168672720
4-[3-(2-methylprop-2-enoxy)phenyl]morpholin-3-one
CID 165482189
1-[3-(dimethylamino)phenyl]-4-hydroxypyrrolidin-2-one
CID 115379164
1-[3-(2-methylprop-2-enoxy)phenyl]pyrrolidine
CID 168512674
2-[3-(4-hydroxy-2-oxopyrrolidin-1-yl)phenyl]acetonitrile
CID 168703908
4-amino-1-(3-propoxyphenyl)pyrrolidin-2-one
CID 54792593
4-hydroxy-1-(4-hydroxy-3-methylphenyl)pyrrolidin-2-one
CID 168702485
1-(3-methoxyphenyl)-4-methylpyrrolidin-2-one
CID 169218000
1-[4-(2-methylprop-2-enoxy)phenyl]pyrrolidine-2,5-dione
CID 126837522
1-(3-ethoxyphenyl)-5-oxopyrrolidine-3-sulfonamide
CID 168717122
4-hydroxy-1-[4-(methoxymethyl)phenyl]pyrrolidin-2-one
CID 168702249

Frequently Asked Questions

What is the IUPAC name of 4-hydroxy-1-[3-(2-methylprop-2-enoxy)phenyl]pyrrolidin-2-one?
The IUPAC name of 4-hydroxy-1-[3-(2-methylprop-2-enoxy)phenyl]pyrrolidin-2-one (CID 168701900) is 4-hydroxy-1-[3-(2-methylprop-2-enoxy)phenyl]pyrrolidin-2-one.
What is the SMILES notation for 4-hydroxy-1-[3-(2-methylprop-2-enoxy)phenyl]pyrrolidin-2-one?
The canonical SMILES for 4-hydroxy-1-[3-(2-methylprop-2-enoxy)phenyl]pyrrolidin-2-one is C=C(C)COc1cccc(N2CC(O)CC2=O)c1.
What is the InChIKey of 4-hydroxy-1-[3-(2-methylprop-2-enoxy)phenyl]pyrrolidin-2-one?
The InChIKey is ZXDWAWNXRKPJHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17NO3/c1-10(2)9-18-13-5-3-4-11(6-13)15-8-12(16)7-14(15)17/h3-6,12,16H,1,7-9H2,2H3.
What are the key properties of 4-hydroxy-1-[3-(2-methylprop-2-enoxy)phenyl]pyrrolidin-2-one?
4-hydroxy-1-[3-(2-methylprop-2-enoxy)phenyl]pyrrolidin-2-one has a molecular weight of 247.29 g/mol, XLogP of 1.74, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxy-1-[3-(2-methylprop-2-enoxy)phenyl]pyrrolidin-2-one is sourced from PubChem (CID 168701900), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).