3-(2-chlorophenyl)-4-hydroxy-1-(methoxymethoxy)-5,5-dimethylpyrrol-2-one

C14H16ClNO4 — CID 139859720

IUPAC3-(2-chlorophenyl)-4-hydroxy-1-(methoxymethoxy)-5,5-dimethylpyrrol-2-one
SMILESCOCON1C(=O)C(c2ccccc2Cl)=C(O)C1(C)C
InChIInChI=1S/C14H16ClNO4/c1-14(2)12(17)11(9-6-4-5-7-10(9)15)13(18)16(14)20-8-19-3/h4-7,17H,8H2,1-3H3
InChIKeyJVWFLULXDBQLLG-UHFFFAOYSA-N
MW297.74 g/mol
LogP2.77
Rot. Bonds4

About 3-(2-chlorophenyl)-4-hydroxy-1-(methoxymethoxy)-5,5-dimethylpyrrol-2-one

3-(2-chlorophenyl)-4-hydroxy-1-(methoxymethoxy)-5,5-dimethylpyrrol-2-one (PubChem CID 139859720) has the molecular formula C14H16ClNO4 and a molecular weight of 297.74 g/mol. Its IUPAC name is 3-(2-chlorophenyl)-4-hydroxy-1-(methoxymethoxy)-5,5-dimethylpyrrol-2-one.

Molecular Properties

Compound Name3-(2-chlorophenyl)-4-hydroxy-1-(methoxymethoxy)-5,5-dimethylpyrrol-2-one
PubChem CID139859720
Molecular FormulaC14H16ClNO4
Molecular Weight297.74 g/mol
Exact Mass297.08
IUPAC Name3-(2-chlorophenyl)-4-hydroxy-1-(methoxymethoxy)-5,5-dimethylpyrrol-2-one
SMILESCOCON1C(=O)C(c2ccccc2Cl)=C(O)C1(C)C
InChIInChI=1S/C14H16ClNO4/c1-14(2)12(17)11(9-6-4-5-7-10(9)15)13(18)16(14)20-8-19-3/h4-7,17H,8H2,1-3H3
InChIKeyJVWFLULXDBQLLG-UHFFFAOYSA-N
XLogP2.77
TPSA59.00 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.74
LogP ≤ 52.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-(2-chlorophenyl)-4-hydroxy-1-(methoxymethoxy)-5,5-dimethylpyrrol-2-one?
The IUPAC name of 3-(2-chlorophenyl)-4-hydroxy-1-(methoxymethoxy)-5,5-dimethylpyrrol-2-one (CID 139859720) is 3-(2-chlorophenyl)-4-hydroxy-1-(methoxymethoxy)-5,5-dimethylpyrrol-2-one.
What is the SMILES notation for 3-(2-chlorophenyl)-4-hydroxy-1-(methoxymethoxy)-5,5-dimethylpyrrol-2-one?
The canonical SMILES for 3-(2-chlorophenyl)-4-hydroxy-1-(methoxymethoxy)-5,5-dimethylpyrrol-2-one is COCON1C(=O)C(c2ccccc2Cl)=C(O)C1(C)C.
What is the InChIKey of 3-(2-chlorophenyl)-4-hydroxy-1-(methoxymethoxy)-5,5-dimethylpyrrol-2-one?
The InChIKey is JVWFLULXDBQLLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16ClNO4/c1-14(2)12(17)11(9-6-4-5-7-10(9)15)13(18)16(14)20-8-19-3/h4-7,17H,8H2,1-3H3.
What are the key properties of 3-(2-chlorophenyl)-4-hydroxy-1-(methoxymethoxy)-5,5-dimethylpyrrol-2-one?
3-(2-chlorophenyl)-4-hydroxy-1-(methoxymethoxy)-5,5-dimethylpyrrol-2-one has a molecular weight of 297.74 g/mol, XLogP of 2.77, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-chlorophenyl)-4-hydroxy-1-(methoxymethoxy)-5,5-dimethylpyrrol-2-one is sourced from PubChem (CID 139859720), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).