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

C16H19NO4 — CID 740861

IUPACmethyl 1-[2-(4-methoxyphenyl)ethyl]-5-methyl-2-oxo-3H-pyrrole-4-carboxylate
SMILESCOC(=O)C1=C(C)N(CCc2ccc(OC)cc2)C(=O)C1
InChIInChI=1S/C16H19NO4/c1-11-14(16(19)21-3)10-15(18)17(11)9-8-12-4-6-13(20-2)7-5-12/h4-7H,8-10H2,1-3H3
InChIKeyQROYQCMCXWINAG-UHFFFAOYSA-N
MW289.33 g/mol
LogP1.92
Rot. Bonds5

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

methyl 1-[2-(4-methoxyphenyl)ethyl]-5-methyl-2-oxo-3H-pyrrole-4-carboxylate (PubChem CID 740861) has the molecular formula C16H19NO4 and a molecular weight of 289.33 g/mol. Its IUPAC name is methyl 1-[2-(4-methoxyphenyl)ethyl]-5-methyl-2-oxo-3H-pyrrole-4-carboxylate.

Molecular Properties

Compound Namemethyl 1-[2-(4-methoxyphenyl)ethyl]-5-methyl-2-oxo-3H-pyrrole-4-carboxylate
PubChem CID740861
Molecular FormulaC16H19NO4
Molecular Weight289.33 g/mol
Exact Mass289.13
IUPAC Namemethyl 1-[2-(4-methoxyphenyl)ethyl]-5-methyl-2-oxo-3H-pyrrole-4-carboxylate
SMILESCOC(=O)C1=C(C)N(CCc2ccc(OC)cc2)C(=O)C1
InChIInChI=1S/C16H19NO4/c1-11-14(16(19)21-3)10-15(18)17(11)9-8-12-4-6-13(20-2)7-5-12/h4-7H,8-10H2,1-3H3
InChIKeyQROYQCMCXWINAG-UHFFFAOYSA-N
XLogP1.92
TPSA55.84 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.33
LogP ≤ 51.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 1-[(4-methoxyphenyl)methyl]-5-methyl-2-oxo-3H-pyrrole-4-carboxylate
CID 754863
1-(8-methoxyoctyl)-3-methyl-1,3-diazinane-2,4,6-trione;1-[2-(4-methoxyphenyl)ethyl]-3-methyl-1,3-diazinane-2,4,6-trione
CID 91393220
methyl (4Z)-1-[2-(4-methoxyphenyl)ethyl]-2-methyl-5-oxo-4-[(4-prop-2-enoxyphenyl)methylidene]pyrrole-3-carboxylate
CID 126002062
methyl 4-[(4-hydroxy-3-methoxyphenyl)methylidene]-1-[2-(4-methoxyphenyl)ethyl]-2-methyl-5-oxopyrrole-3-carboxylate
CID 4675329
methyl 1-[2-(4-methoxyphenyl)ethyl]-1,2,4-triazole-3-carboxylate
CID 78925160
(3S)-1-[2-(4-methoxyphenyl)ethyl]-3-(4-methylanilino)pyrrolidine-2,5-dione
CID 7928103
(3R)-1-[2-(4-methoxyphenyl)ethyl]-3-(4-methylanilino)pyrrolidine-2,5-dione
CID 7928102
[4-[2-(1,3-dioxoisoindol-2-yl)ethyl]phenyl] 4-methoxybenzoate
CID 7212632
(2,5-dioxopyrrolidin-1-yl) 3-(4-methoxyphenyl)propanoate
CID 15690079
(3R)-1-[2-(4-methoxyphenyl)ethyl]-5-oxopyrrolidine-3-carboxylic acid
CID 972679
methyl 1-[(3S)-1-[2-(4-methoxyphenyl)ethyl]-2,5-dioxopyrrolidin-3-yl]piperidine-4-carboxylate
CID 51613197
N-hydroxy-4-(4-methoxyphenyl)butanamide
CID 53384800

Frequently Asked Questions

What is the IUPAC name of methyl 1-[2-(4-methoxyphenyl)ethyl]-5-methyl-2-oxo-3H-pyrrole-4-carboxylate?
The IUPAC name of methyl 1-[2-(4-methoxyphenyl)ethyl]-5-methyl-2-oxo-3H-pyrrole-4-carboxylate (CID 740861) is methyl 1-[2-(4-methoxyphenyl)ethyl]-5-methyl-2-oxo-3H-pyrrole-4-carboxylate.
What is the SMILES notation for methyl 1-[2-(4-methoxyphenyl)ethyl]-5-methyl-2-oxo-3H-pyrrole-4-carboxylate?
The canonical SMILES for methyl 1-[2-(4-methoxyphenyl)ethyl]-5-methyl-2-oxo-3H-pyrrole-4-carboxylate is COC(=O)C1=C(C)N(CCc2ccc(OC)cc2)C(=O)C1.
What is the InChIKey of methyl 1-[2-(4-methoxyphenyl)ethyl]-5-methyl-2-oxo-3H-pyrrole-4-carboxylate?
The InChIKey is QROYQCMCXWINAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19NO4/c1-11-14(16(19)21-3)10-15(18)17(11)9-8-12-4-6-13(20-2)7-5-12/h4-7H,8-10H2,1-3H3.
What are the key properties of methyl 1-[2-(4-methoxyphenyl)ethyl]-5-methyl-2-oxo-3H-pyrrole-4-carboxylate?
methyl 1-[2-(4-methoxyphenyl)ethyl]-5-methyl-2-oxo-3H-pyrrole-4-carboxylate has a molecular weight of 289.33 g/mol, XLogP of 1.92, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 1-[2-(4-methoxyphenyl)ethyl]-5-methyl-2-oxo-3H-pyrrole-4-carboxylate is sourced from PubChem (CID 740861), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).