ethyl 5-methyl-1-(4-methylphenyl)-2-oxo-3H-pyrrole-4-carboxylate

C15H17NO3 — CID 744933

IUPACethyl 5-methyl-1-(4-methylphenyl)-2-oxo-3H-pyrrole-4-carboxylate
SMILESCCOC(=O)C1=C(C)N(c2ccc(C)cc2)C(=O)C1
InChIInChI=1S/C15H17NO3/c1-4-19-15(18)13-9-14(17)16(11(13)3)12-7-5-10(2)6-8-12/h5-8H,4,9H2,1-3H3
InChIKeyIETHGGFEOQKLBG-UHFFFAOYSA-N
MW259.31 g/mol
LogP2.57
Rot. Bonds3

About ethyl 5-methyl-1-(4-methylphenyl)-2-oxo-3H-pyrrole-4-carboxylate

ethyl 5-methyl-1-(4-methylphenyl)-2-oxo-3H-pyrrole-4-carboxylate (PubChem CID 744933) has the molecular formula C15H17NO3 and a molecular weight of 259.31 g/mol. Its IUPAC name is ethyl 5-methyl-1-(4-methylphenyl)-2-oxo-3H-pyrrole-4-carboxylate.

Molecular Properties

Compound Nameethyl 5-methyl-1-(4-methylphenyl)-2-oxo-3H-pyrrole-4-carboxylate
PubChem CID744933
Molecular FormulaC15H17NO3
Molecular Weight259.31 g/mol
Exact Mass259.12
IUPAC Nameethyl 5-methyl-1-(4-methylphenyl)-2-oxo-3H-pyrrole-4-carboxylate
SMILESCCOC(=O)C1=C(C)N(c2ccc(C)cc2)C(=O)C1
InChIInChI=1S/C15H17NO3/c1-4-19-15(18)13-9-14(17)16(11(13)3)12-7-5-10(2)6-8-12/h5-8H,4,9H2,1-3H3
InChIKeyIETHGGFEOQKLBG-UHFFFAOYSA-N
XLogP2.57
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.31
LogP ≤ 52.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

ethyl 1-(3,4-dimethylphenyl)-5-methyl-2-oxo-3H-pyrrole-4-carboxylate
CID 744936
diethyl 2,6-dimethyl-4-(4-methylphenyl)-1H-pyrazine-3,5-dicarboxylate
CID 13477423
ethyl (4R)-4-[(2,5-dimethylphenyl)carbamoyl]-6-methyl-1-(4-methylphenyl)-2-oxo-3,4-dihydropyridine-5-carboxylate
CID 29158002
ethyl 4-(3,5-dioxothiomorpholin-4-yl)benzoate
CID 2732377
ethyl 5-(4-methylphenyl)-4,6-dioxo-2,6a-dihydropyrrolo[3,4-d][1,2]oxazole-3-carboxylate
CID 3574714
ethyl (5S)-1-(4-methylphenyl)sulfonyl-6,8-dioxo-2,7-diphenyl-1,7-diazaspiro[4.4]non-2-ene-3-carboxylate
CID 139185552
ethyl 4-(5-oxo-2-sulfanylideneimidazolidin-1-yl)benzoate
CID 10467980
ethyl 4-methylbenzoate;hydrochloride
CID 172804692
ethane;ethyl 4-methylbenzoate
CID 142095143
ethyl 4-[(3aR,5S,6S,7aR)-5,6-dibromo-1,3-dioxo-3a,4,5,6,7,7a-hexahydroisoindol-2-yl]benzoate
CID 124724602
ethyl 2-aminocyclopropene-1-carboxylate
CID 54193100
4-(3-ethoxycarbonyl-5-oxo-4H-pyrazol-1-yl)benzoic acid
CID 15834353

Frequently Asked Questions

What is the IUPAC name of ethyl 5-methyl-1-(4-methylphenyl)-2-oxo-3H-pyrrole-4-carboxylate?
The IUPAC name of ethyl 5-methyl-1-(4-methylphenyl)-2-oxo-3H-pyrrole-4-carboxylate (CID 744933) is ethyl 5-methyl-1-(4-methylphenyl)-2-oxo-3H-pyrrole-4-carboxylate.
What is the SMILES notation for ethyl 5-methyl-1-(4-methylphenyl)-2-oxo-3H-pyrrole-4-carboxylate?
The canonical SMILES for ethyl 5-methyl-1-(4-methylphenyl)-2-oxo-3H-pyrrole-4-carboxylate is CCOC(=O)C1=C(C)N(c2ccc(C)cc2)C(=O)C1.
What is the InChIKey of ethyl 5-methyl-1-(4-methylphenyl)-2-oxo-3H-pyrrole-4-carboxylate?
The InChIKey is IETHGGFEOQKLBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17NO3/c1-4-19-15(18)13-9-14(17)16(11(13)3)12-7-5-10(2)6-8-12/h5-8H,4,9H2,1-3H3.
What are the key properties of ethyl 5-methyl-1-(4-methylphenyl)-2-oxo-3H-pyrrole-4-carboxylate?
ethyl 5-methyl-1-(4-methylphenyl)-2-oxo-3H-pyrrole-4-carboxylate has a molecular weight of 259.31 g/mol, XLogP of 2.57, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 5-methyl-1-(4-methylphenyl)-2-oxo-3H-pyrrole-4-carboxylate is sourced from PubChem (CID 744933), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).