methyl 2-[2-hydroxy-2-(4-methylphenyl)-5-oxopyrrol-1-yl]acetate

C14H15NO4 — CID 67851607

IUPACmethyl 2-[2-hydroxy-2-(4-methylphenyl)-5-oxopyrrol-1-yl]acetate
SMILESCOC(=O)CN1C(=O)C=CC1(O)c1ccc(C)cc1
InChIInChI=1S/C14H15NO4/c1-10-3-5-11(6-4-10)14(18)8-7-12(16)15(14)9-13(17)19-2/h3-8,18H,9H2,1-2H3
InChIKeyKHGRMEBISVRMHG-UHFFFAOYSA-N
MW261.28 g/mol
LogP0.71
Rot. Bonds3

About methyl 2-[2-hydroxy-2-(4-methylphenyl)-5-oxopyrrol-1-yl]acetate

methyl 2-[2-hydroxy-2-(4-methylphenyl)-5-oxopyrrol-1-yl]acetate (PubChem CID 67851607) has the molecular formula C14H15NO4 and a molecular weight of 261.28 g/mol. Its IUPAC name is methyl 2-[2-hydroxy-2-(4-methylphenyl)-5-oxopyrrol-1-yl]acetate.

Molecular Properties

Compound Namemethyl 2-[2-hydroxy-2-(4-methylphenyl)-5-oxopyrrol-1-yl]acetate
PubChem CID67851607
Molecular FormulaC14H15NO4
Molecular Weight261.28 g/mol
Exact Mass261.10
IUPAC Namemethyl 2-[2-hydroxy-2-(4-methylphenyl)-5-oxopyrrol-1-yl]acetate
SMILESCOC(=O)CN1C(=O)C=CC1(O)c1ccc(C)cc1
InChIInChI=1S/C14H15NO4/c1-10-3-5-11(6-4-10)14(18)8-7-12(16)15(14)9-13(17)19-2/h3-8,18H,9H2,1-2H3
InChIKeyKHGRMEBISVRMHG-UHFFFAOYSA-N
XLogP0.71
TPSA66.84 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.28
LogP ≤ 50.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of methyl 2-[2-hydroxy-2-(4-methylphenyl)-5-oxopyrrol-1-yl]acetate?
The IUPAC name of methyl 2-[2-hydroxy-2-(4-methylphenyl)-5-oxopyrrol-1-yl]acetate (CID 67851607) is methyl 2-[2-hydroxy-2-(4-methylphenyl)-5-oxopyrrol-1-yl]acetate.
What is the SMILES notation for methyl 2-[2-hydroxy-2-(4-methylphenyl)-5-oxopyrrol-1-yl]acetate?
The canonical SMILES for methyl 2-[2-hydroxy-2-(4-methylphenyl)-5-oxopyrrol-1-yl]acetate is COC(=O)CN1C(=O)C=CC1(O)c1ccc(C)cc1.
What is the InChIKey of methyl 2-[2-hydroxy-2-(4-methylphenyl)-5-oxopyrrol-1-yl]acetate?
The InChIKey is KHGRMEBISVRMHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15NO4/c1-10-3-5-11(6-4-10)14(18)8-7-12(16)15(14)9-13(17)19-2/h3-8,18H,9H2,1-2H3.
What are the key properties of methyl 2-[2-hydroxy-2-(4-methylphenyl)-5-oxopyrrol-1-yl]acetate?
methyl 2-[2-hydroxy-2-(4-methylphenyl)-5-oxopyrrol-1-yl]acetate has a molecular weight of 261.28 g/mol, XLogP of 0.71, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[2-hydroxy-2-(4-methylphenyl)-5-oxopyrrol-1-yl]acetate is sourced from PubChem (CID 67851607), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).