methyl 1-[(4-methoxyphenyl)methyl]-5-methyl-2-oxo-3H-pyrrole-4-carboxylate

C15H17NO4 — CID 754863

IUPACmethyl 1-[(4-methoxyphenyl)methyl]-5-methyl-2-oxo-3H-pyrrole-4-carboxylate
SMILESCOC(=O)C1=C(C)N(Cc2ccc(OC)cc2)C(=O)C1
InChIInChI=1S/C15H17NO4/c1-10-13(15(18)20-3)8-14(17)16(10)9-11-4-6-12(19-2)7-5-11/h4-7H,8-9H2,1-3H3
InChIKeyIQMNYSSMEBLLGY-UHFFFAOYSA-N
MW275.30 g/mol
LogP1.87
Rot. Bonds4

About methyl 1-[(4-methoxyphenyl)methyl]-5-methyl-2-oxo-3H-pyrrole-4-carboxylate

methyl 1-[(4-methoxyphenyl)methyl]-5-methyl-2-oxo-3H-pyrrole-4-carboxylate (PubChem CID 754863) has the molecular formula C15H17NO4 and a molecular weight of 275.30 g/mol. Its IUPAC name is methyl 1-[(4-methoxyphenyl)methyl]-5-methyl-2-oxo-3H-pyrrole-4-carboxylate.

Molecular Properties

Compound Namemethyl 1-[(4-methoxyphenyl)methyl]-5-methyl-2-oxo-3H-pyrrole-4-carboxylate
PubChem CID754863
Molecular FormulaC15H17NO4
Molecular Weight275.30 g/mol
Exact Mass275.12
IUPAC Namemethyl 1-[(4-methoxyphenyl)methyl]-5-methyl-2-oxo-3H-pyrrole-4-carboxylate
SMILESCOC(=O)C1=C(C)N(Cc2ccc(OC)cc2)C(=O)C1
InChIInChI=1S/C15H17NO4/c1-10-13(15(18)20-3)8-14(17)16(10)9-11-4-6-12(19-2)7-5-11/h4-7H,8-9H2,1-3H3
InChIKeyIQMNYSSMEBLLGY-UHFFFAOYSA-N
XLogP1.87
TPSA55.84 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.30
LogP ≤ 51.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 1-[2-(4-methoxyphenyl)ethyl]-5-methyl-2-oxo-3H-pyrrole-4-carboxylate
CID 740861
1-[(4-methoxyphenyl)methyl]-7-methyl-3H-indol-2-one
CID 102315003
methyl 7-fluoro-1-[(4-methoxyphenyl)methyl]-2,3-dioxo-4H-quinoline-6-carboxylate
CID 158445126
methyl 4-[(4-methoxyphenyl)methyl]-3-oxo-1,4-benzoxazine-6-carboxylate
CID 126645833
methyl (4E)-4-[(4-ethylphenyl)methylidene]-1-[(4-methoxyphenyl)methyl]-2-methyl-5-oxopyrrole-3-carboxylate
CID 2176737
(3S)-3-hydroxy-1-[(4-methoxyphenyl)methyl]pyrrolidine-2,5-dione
CID 15896261
methyl (4Z)-4-[(4-chlorophenyl)methylidene]-1-[(4-methoxyphenyl)methyl]-2-methyl-5-oxopyrrole-3-carboxylate
CID 94847053
tert-butyl (4R)-4-(2-chlorophenyl)-1-[(4-methoxyphenyl)methyl]-6-methyl-2-oxo-3,4-dihydropyridine-5-carboxylate
CID 93332150
N-[1-[(4-methoxyphenyl)methyl]-2-methyl-5-oxo-4-(trifluoromethyl)imidazol-4-yl]-2-methylpropanamide
CID 17344633
3,4-dibromo-1-[(4-methoxyphenyl)methyl]pyrrole-2,5-dione
CID 10761993
3-[(4R)-1-[(4-methoxyphenyl)methyl]-2,5-dioxoimidazolidin-4-yl]propanoic acid
CID 51646647
ethane;1-[(4-methoxyphenyl)methyl]-3-methyl-5-oxopyrrolidine-3-carboxylic acid;molecular hydrogen
CID 145304270

Frequently Asked Questions

What is the IUPAC name of methyl 1-[(4-methoxyphenyl)methyl]-5-methyl-2-oxo-3H-pyrrole-4-carboxylate?
The IUPAC name of methyl 1-[(4-methoxyphenyl)methyl]-5-methyl-2-oxo-3H-pyrrole-4-carboxylate (CID 754863) is methyl 1-[(4-methoxyphenyl)methyl]-5-methyl-2-oxo-3H-pyrrole-4-carboxylate.
What is the SMILES notation for methyl 1-[(4-methoxyphenyl)methyl]-5-methyl-2-oxo-3H-pyrrole-4-carboxylate?
The canonical SMILES for methyl 1-[(4-methoxyphenyl)methyl]-5-methyl-2-oxo-3H-pyrrole-4-carboxylate is COC(=O)C1=C(C)N(Cc2ccc(OC)cc2)C(=O)C1.
What is the InChIKey of methyl 1-[(4-methoxyphenyl)methyl]-5-methyl-2-oxo-3H-pyrrole-4-carboxylate?
The InChIKey is IQMNYSSMEBLLGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17NO4/c1-10-13(15(18)20-3)8-14(17)16(10)9-11-4-6-12(19-2)7-5-11/h4-7H,8-9H2,1-3H3.
What are the key properties of methyl 1-[(4-methoxyphenyl)methyl]-5-methyl-2-oxo-3H-pyrrole-4-carboxylate?
methyl 1-[(4-methoxyphenyl)methyl]-5-methyl-2-oxo-3H-pyrrole-4-carboxylate has a molecular weight of 275.30 g/mol, XLogP of 1.87, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 1-[(4-methoxyphenyl)methyl]-5-methyl-2-oxo-3H-pyrrole-4-carboxylate is sourced from PubChem (CID 754863), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).