ethyl 2-(5-benzoyl-1H-pyrrol-3-yl)acetate

C15H15NO3 — CID 14611895

IUPACethyl 2-(5-benzoyl-1H-pyrrol-3-yl)acetate
SMILESCCOC(=O)Cc1c[nH]c(C(=O)c2ccccc2)c1
InChIInChI=1S/C15H15NO3/c1-2-19-14(17)9-11-8-13(16-10-11)15(18)12-6-4-3-5-7-12/h3-8,10,16H,2,9H2,1H3
InChIKeyXIVRYTHXZLEYQU-UHFFFAOYSA-N
MW257.29 g/mol
LogP2.35
Rot. Bonds5

About ethyl 2-(5-benzoyl-1H-pyrrol-3-yl)acetate

ethyl 2-(5-benzoyl-1H-pyrrol-3-yl)acetate (PubChem CID 14611895) has the molecular formula C15H15NO3 and a molecular weight of 257.29 g/mol. Its IUPAC name is ethyl 2-(5-benzoyl-1H-pyrrol-3-yl)acetate.

Molecular Properties

Compound Nameethyl 2-(5-benzoyl-1H-pyrrol-3-yl)acetate
PubChem CID14611895
Molecular FormulaC15H15NO3
Molecular Weight257.29 g/mol
Exact Mass257.11
IUPAC Nameethyl 2-(5-benzoyl-1H-pyrrol-3-yl)acetate
SMILESCCOC(=O)Cc1c[nH]c(C(=O)c2ccccc2)c1
InChIInChI=1S/C15H15NO3/c1-2-19-14(17)9-11-8-13(16-10-11)15(18)12-6-4-3-5-7-12/h3-8,10,16H,2,9H2,1H3
InChIKeyXIVRYTHXZLEYQU-UHFFFAOYSA-N
XLogP2.35
TPSA59.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.29
LogP ≤ 52.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

ethyl 2-phenylacetate
CID 7590
ethyl 2-phenylacetate;hydrate
CID 141257001
5-benzoyl-1H-pyrrole-3-carboxylic acid
CID 12897055
ethyl 2-(6-amino-4-benzoylnaphthalen-2-yl)acetate
CID 154107970
ethyl 2-(5-cyclopropyl-1H-pyrrol-3-yl)acetate
CID 141348755
ethyl 4-[[2-(hydroxymethyl)phenyl]methyl]-1H-pyrrole-2-carboxylate
CID 10083898
ethyl 2-[4-[(E)-2-phenylethenyl]phenyl]acetate
CID 142533031
ethyl 2-(1H-pyrazol-4-yl)acetate
CID 20555345
ethyl 2-(4-phenyldiazenylphenyl)acetate
CID 86675520
[3-(2-ethoxy-2-oxoethyl)phenyl]boronic acid
CID 53216302
ethyl 2-[4-[(4-oxo-5-phenylmethoxy-1H-pyridine-2-carbonyl)amino]phenyl]acetate
CID 123683336
ethyl 2-(2-ethylphenyl)acetate
CID 45489731

Frequently Asked Questions

What is the IUPAC name of ethyl 2-(5-benzoyl-1H-pyrrol-3-yl)acetate?
The IUPAC name of ethyl 2-(5-benzoyl-1H-pyrrol-3-yl)acetate (CID 14611895) is ethyl 2-(5-benzoyl-1H-pyrrol-3-yl)acetate.
What is the SMILES notation for ethyl 2-(5-benzoyl-1H-pyrrol-3-yl)acetate?
The canonical SMILES for ethyl 2-(5-benzoyl-1H-pyrrol-3-yl)acetate is CCOC(=O)Cc1c[nH]c(C(=O)c2ccccc2)c1.
What is the InChIKey of ethyl 2-(5-benzoyl-1H-pyrrol-3-yl)acetate?
The InChIKey is XIVRYTHXZLEYQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15NO3/c1-2-19-14(17)9-11-8-13(16-10-11)15(18)12-6-4-3-5-7-12/h3-8,10,16H,2,9H2,1H3.
What are the key properties of ethyl 2-(5-benzoyl-1H-pyrrol-3-yl)acetate?
ethyl 2-(5-benzoyl-1H-pyrrol-3-yl)acetate has a molecular weight of 257.29 g/mol, XLogP of 2.35, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(5-benzoyl-1H-pyrrol-3-yl)acetate is sourced from PubChem (CID 14611895), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).