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

C15H17NO5 — CID 54737688

IUPACethyl 4-hydroxy-1-[(4-methoxyphenyl)methyl]-5-oxo-2H-pyrrole-3-carboxylate
SMILESCCOC(=O)C1=C(O)C(=O)N(Cc2ccc(OC)cc2)C1
InChIInChI=1S/C15H17NO5/c1-3-21-15(19)12-9-16(14(18)13(12)17)8-10-4-6-11(20-2)7-5-10/h4-7,17H,3,8-9H2,1-2H3
InChIKeyCNXSHPZDKZIAOV-UHFFFAOYSA-N
MW291.30 g/mol
LogP1.41
Rot. Bonds5

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

ethyl 4-hydroxy-1-[(4-methoxyphenyl)methyl]-5-oxo-2H-pyrrole-3-carboxylate (PubChem CID 54737688) has the molecular formula C15H17NO5 and a molecular weight of 291.30 g/mol. Its IUPAC name is ethyl 4-hydroxy-1-[(4-methoxyphenyl)methyl]-5-oxo-2H-pyrrole-3-carboxylate.

Molecular Properties

Compound Nameethyl 4-hydroxy-1-[(4-methoxyphenyl)methyl]-5-oxo-2H-pyrrole-3-carboxylate
PubChem CID54737688
Molecular FormulaC15H17NO5
Molecular Weight291.30 g/mol
Exact Mass291.11
IUPAC Nameethyl 4-hydroxy-1-[(4-methoxyphenyl)methyl]-5-oxo-2H-pyrrole-3-carboxylate
SMILESCCOC(=O)C1=C(O)C(=O)N(Cc2ccc(OC)cc2)C1
InChIInChI=1S/C15H17NO5/c1-3-21-15(19)12-9-16(14(18)13(12)17)8-10-4-6-11(20-2)7-5-10/h4-7,17H,3,8-9H2,1-2H3
InChIKeyCNXSHPZDKZIAOV-UHFFFAOYSA-N
XLogP1.41
TPSA76.07 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.30
LogP ≤ 51.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(E)-4-[(4-methoxyphenyl)methylamino]-4-oxobut-2-enoic acid
CID 5702914
1-((4-Methoxyphenyl)methyl)-1H-pyrrole-2,5-dione
CID 2737837
5-methoxy-1-(4-methoxybenzyl)-3,4-dimethyl-1,5-dihydro-2H-pyrrol-2-one
CID 23724295
(Z)-4-((4-methoxybenzyl)amino)-3-methyl-4-oxobut-2-enoic acid
CID 2146276
1-[(4-Hexoxyphenyl)methyl]azetidine-3-carboxylicacid
CID 59451764
1-[(4-Pentoxyphenyl)methyl]azetidine-3-carboxylic acid
CID 59451770
1-[[4-(3-Methylbutoxy)phenyl]methyl]azetidine-3-carboxylic acid
CID 59451870
(1-(4-Methoxybenzyl)piperidin-3-yl)(pyrrolidin-1-yl)methanone oxalate
CID 662630
methyl 1-(4-methoxybenzyl)-2-methyl-5-oxo-4,5-dihydro-1H-pyrrole-3-carboxylate
CID 754863
N-ethyl-N-[(3-fluoro-4-methoxyphenyl)methyl]oxolane-2-carboxamide
CID 16274154
N-(4-methoxybenzyl)-4,6-dimethyl-2-oxo-2H-pyran-5-carboxamide
CID 4299306
N-methyl-N-[(4-prop-2-enoxyphenyl)methyl]oxolane-2-carboxamide
CID 16282449

Frequently Asked Questions

What is the IUPAC name of ethyl 4-hydroxy-1-[(4-methoxyphenyl)methyl]-5-oxo-2H-pyrrole-3-carboxylate?
The IUPAC name of ethyl 4-hydroxy-1-[(4-methoxyphenyl)methyl]-5-oxo-2H-pyrrole-3-carboxylate (CID 54737688) is ethyl 4-hydroxy-1-[(4-methoxyphenyl)methyl]-5-oxo-2H-pyrrole-3-carboxylate.
What is the SMILES notation for ethyl 4-hydroxy-1-[(4-methoxyphenyl)methyl]-5-oxo-2H-pyrrole-3-carboxylate?
The canonical SMILES for ethyl 4-hydroxy-1-[(4-methoxyphenyl)methyl]-5-oxo-2H-pyrrole-3-carboxylate is CCOC(=O)C1=C(O)C(=O)N(Cc2ccc(OC)cc2)C1.
What is the InChIKey of ethyl 4-hydroxy-1-[(4-methoxyphenyl)methyl]-5-oxo-2H-pyrrole-3-carboxylate?
The InChIKey is CNXSHPZDKZIAOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17NO5/c1-3-21-15(19)12-9-16(14(18)13(12)17)8-10-4-6-11(20-2)7-5-10/h4-7,17H,3,8-9H2,1-2H3.
What are the key properties of ethyl 4-hydroxy-1-[(4-methoxyphenyl)methyl]-5-oxo-2H-pyrrole-3-carboxylate?
ethyl 4-hydroxy-1-[(4-methoxyphenyl)methyl]-5-oxo-2H-pyrrole-3-carboxylate has a molecular weight of 291.30 g/mol, XLogP of 1.41, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-hydroxy-1-[(4-methoxyphenyl)methyl]-5-oxo-2H-pyrrole-3-carboxylate is sourced from PubChem (CID 54737688), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).