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

C15H17NO3 — CID 923211

IUPACmethyl 1-(4-ethylphenyl)-5-methyl-2-oxo-3H-pyrrole-4-carboxylate
SMILESCCc1ccc(N2C(=O)CC(C(=O)OC)=C2C)cc1
InChIInChI=1S/C15H17NO3/c1-4-11-5-7-12(8-6-11)16-10(2)13(9-14(16)17)15(18)19-3/h5-8H,4,9H2,1-3H3
InChIKeyHAXXANNPAQOZNA-UHFFFAOYSA-N
MW259.31 g/mol
LogP2.43
Rot. Bonds3

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

methyl 1-(4-ethylphenyl)-5-methyl-2-oxo-3H-pyrrole-4-carboxylate (PubChem CID 923211) has the molecular formula C15H17NO3 and a molecular weight of 259.31 g/mol. Its IUPAC name is methyl 1-(4-ethylphenyl)-5-methyl-2-oxo-3H-pyrrole-4-carboxylate.

Molecular Properties

Compound Namemethyl 1-(4-ethylphenyl)-5-methyl-2-oxo-3H-pyrrole-4-carboxylate
PubChem CID923211
Molecular FormulaC15H17NO3
Molecular Weight259.31 g/mol
Exact Mass259.12
IUPAC Namemethyl 1-(4-ethylphenyl)-5-methyl-2-oxo-3H-pyrrole-4-carboxylate
SMILESCCc1ccc(N2C(=O)CC(C(=O)OC)=C2C)cc1
InChIInChI=1S/C15H17NO3/c1-4-11-5-7-12(8-6-11)16-10(2)13(9-14(16)17)15(18)19-3/h5-8H,4,9H2,1-3H3
InChIKeyHAXXANNPAQOZNA-UHFFFAOYSA-N
XLogP2.43
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 ≤ 52.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of methyl 1-(4-ethylphenyl)-5-methyl-2-oxo-3H-pyrrole-4-carboxylate?
The IUPAC name of methyl 1-(4-ethylphenyl)-5-methyl-2-oxo-3H-pyrrole-4-carboxylate (CID 923211) is methyl 1-(4-ethylphenyl)-5-methyl-2-oxo-3H-pyrrole-4-carboxylate.
What is the SMILES notation for methyl 1-(4-ethylphenyl)-5-methyl-2-oxo-3H-pyrrole-4-carboxylate?
The canonical SMILES for methyl 1-(4-ethylphenyl)-5-methyl-2-oxo-3H-pyrrole-4-carboxylate is CCc1ccc(N2C(=O)CC(C(=O)OC)=C2C)cc1.
What is the InChIKey of methyl 1-(4-ethylphenyl)-5-methyl-2-oxo-3H-pyrrole-4-carboxylate?
The InChIKey is HAXXANNPAQOZNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17NO3/c1-4-11-5-7-12(8-6-11)16-10(2)13(9-14(16)17)15(18)19-3/h5-8H,4,9H2,1-3H3.
What are the key properties of methyl 1-(4-ethylphenyl)-5-methyl-2-oxo-3H-pyrrole-4-carboxylate?
methyl 1-(4-ethylphenyl)-5-methyl-2-oxo-3H-pyrrole-4-carboxylate has a molecular weight of 259.31 g/mol, XLogP of 2.43, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 1-(4-ethylphenyl)-5-methyl-2-oxo-3H-pyrrole-4-carboxylate is sourced from PubChem (CID 923211), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).