[2-oxo-2-(1H-pyrrol-2-yl)ethyl] 2,4-dimethoxybenzoate

C15H15NO5 — CID 3656970

IUPAC[2-oxo-2-(1H-pyrrol-2-yl)ethyl] 2,4-dimethoxybenzoate
SMILESCOc1ccc(C(=O)OCC(=O)c2ccc[nH]2)c(OC)c1
InChIInChI=1S/C15H15NO5/c1-19-10-5-6-11(14(8-10)20-2)15(18)21-9-13(17)12-4-3-7-16-12/h3-8,16H,9H2,1-2H3
InChIKeySIXYWSIBNPFFBI-UHFFFAOYSA-N
MW289.29 g/mol
LogP2.07
Rot. Bonds6

About [2-oxo-2-(1H-pyrrol-2-yl)ethyl] 2,4-dimethoxybenzoate

[2-oxo-2-(1H-pyrrol-2-yl)ethyl] 2,4-dimethoxybenzoate (PubChem CID 3656970) has the molecular formula C15H15NO5 and a molecular weight of 289.29 g/mol. Its IUPAC name is [2-oxo-2-(1H-pyrrol-2-yl)ethyl] 2,4-dimethoxybenzoate.

Molecular Properties

Compound Name[2-oxo-2-(1H-pyrrol-2-yl)ethyl] 2,4-dimethoxybenzoate
PubChem CID3656970
Molecular FormulaC15H15NO5
Molecular Weight289.29 g/mol
Exact Mass289.10
IUPAC Name[2-oxo-2-(1H-pyrrol-2-yl)ethyl] 2,4-dimethoxybenzoate
SMILESCOc1ccc(C(=O)OCC(=O)c2ccc[nH]2)c(OC)c1
InChIInChI=1S/C15H15NO5/c1-19-10-5-6-11(14(8-10)20-2)15(18)21-9-13(17)12-4-3-7-16-12/h3-8,16H,9H2,1-2H3
InChIKeySIXYWSIBNPFFBI-UHFFFAOYSA-N
XLogP2.07
TPSA77.62 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.29
LogP ≤ 52.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze [2-oxo-2-(1H-pyrrol-2-yl)ethyl] 2,4-dimethoxybenzoate with MolForge

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Related Compounds

N'-{[(2,4-dimethoxyphenyl)carbonyl]oxy}pyridine-2-carboximidamide
CID 9646561
[2-oxo-2-(1H-pyrrol-2-yl)ethyl] 2-(3,4,5-trimethoxyphenyl)acetate
CID 2546012
[2-(2,4-Dimethoxyphenyl)-2-oxoethyl] pyridine-2-carboxylate
CID 2637630
[2-oxo-2-(1H-pyrrol-2-yl)ethyl] 2-(2-methylphenoxy)acetate
CID 4796279
[2-oxo-2-(1H-pyrrol-2-yl)ethyl] 2-(2-methoxy-4-methylphenoxy)acetate
CID 5160797
[2-oxo-2-(1H-pyrrol-2-yl)ethyl] 4-methoxybenzoate
CID 5200704
[2-oxo-2-(1H-pyrrol-2-yl)ethyl] 2-(2-cyanophenoxy)acetate
CID 5219260
[2-oxo-2-(1H-pyrrol-2-yl)ethyl] (E)-3-(4-methoxyphenyl)prop-2-enoate
CID 6176428
(E)-1-[2-methoxy-4,6-bis(prop-2-enoxy)phenyl]-3-pyridin-2-ylprop-2-en-1-one
CID 25128776
[2-oxo-2-(1H-pyrrol-2-yl)ethyl] 3-(3,4,5-trimethoxyphenyl)propanoate
CID 2456666
[2-oxo-2-(1H-pyrrol-2-yl)ethyl] 2-[(3,4,5-trimethoxybenzoyl)amino]acetate
CID 2998346
(E)-3-pyridin-2-yl-1-(2,4,6-trimethoxyphenyl)prop-2-en-1-one
CID 10424821

Frequently Asked Questions

What is the IUPAC name of [2-oxo-2-(1H-pyrrol-2-yl)ethyl] 2,4-dimethoxybenzoate?
The IUPAC name of [2-oxo-2-(1H-pyrrol-2-yl)ethyl] 2,4-dimethoxybenzoate (CID 3656970) is [2-oxo-2-(1H-pyrrol-2-yl)ethyl] 2,4-dimethoxybenzoate.
What is the SMILES notation for [2-oxo-2-(1H-pyrrol-2-yl)ethyl] 2,4-dimethoxybenzoate?
The canonical SMILES for [2-oxo-2-(1H-pyrrol-2-yl)ethyl] 2,4-dimethoxybenzoate is COc1ccc(C(=O)OCC(=O)c2ccc[nH]2)c(OC)c1.
What is the InChIKey of [2-oxo-2-(1H-pyrrol-2-yl)ethyl] 2,4-dimethoxybenzoate?
The InChIKey is SIXYWSIBNPFFBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15NO5/c1-19-10-5-6-11(14(8-10)20-2)15(18)21-9-13(17)12-4-3-7-16-12/h3-8,16H,9H2,1-2H3.
What are the key properties of [2-oxo-2-(1H-pyrrol-2-yl)ethyl] 2,4-dimethoxybenzoate?
[2-oxo-2-(1H-pyrrol-2-yl)ethyl] 2,4-dimethoxybenzoate has a molecular weight of 289.29 g/mol, XLogP of 2.07, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-oxo-2-(1H-pyrrol-2-yl)ethyl] 2,4-dimethoxybenzoate is sourced from PubChem (CID 3656970), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).