ethyl 3-(2,5-diphenyl-1H-pyrrol-3-yl)propanoate

C21H21NO2 — CID 169229845

IUPACethyl 3-(2,5-diphenyl-1H-pyrrol-3-yl)propanoate
SMILESCCOC(=O)CCc1cc(-c2ccccc2)[nH]c1-c1ccccc1
InChIInChI=1S/C21H21NO2/c1-2-24-20(23)14-13-18-15-19(16-9-5-3-6-10-16)22-21(18)17-11-7-4-8-12-17/h3-12,15,22H,2,13-14H2,1H3
InChIKeyRYOJQQOSVSRZMU-UHFFFAOYSA-N
MW319.40 g/mol
LogP4.84
Rot. Bonds6

About ethyl 3-(2,5-diphenyl-1H-pyrrol-3-yl)propanoate

ethyl 3-(2,5-diphenyl-1H-pyrrol-3-yl)propanoate (PubChem CID 169229845) has the molecular formula C21H21NO2 and a molecular weight of 319.40 g/mol. Its IUPAC name is ethyl 3-(2,5-diphenyl-1H-pyrrol-3-yl)propanoate.

Molecular Properties

Compound Nameethyl 3-(2,5-diphenyl-1H-pyrrol-3-yl)propanoate
PubChem CID169229845
Molecular FormulaC21H21NO2
Molecular Weight319.40 g/mol
Exact Mass319.16
IUPAC Nameethyl 3-(2,5-diphenyl-1H-pyrrol-3-yl)propanoate
SMILESCCOC(=O)CCc1cc(-c2ccccc2)[nH]c1-c1ccccc1
InChIInChI=1S/C21H21NO2/c1-2-24-20(23)14-13-18-15-19(16-9-5-3-6-10-16)22-21(18)17-11-7-4-8-12-17/h3-12,15,22H,2,13-14H2,1H3
InChIKeyRYOJQQOSVSRZMU-UHFFFAOYSA-N
XLogP4.84
TPSA42.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.40
LogP ≤ 54.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

ethyl 2-phenyl-5-[4-(trifluoromethoxy)phenyl]-1H-pyrrole-3-carboxylate
CID 170695775
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CID 170695559
ethyl 4-(2-phenylphenyl)butanoate
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ethyl 3-[2-(1,1-difluoroethyl)phenyl]propanoate
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CID 175159774
ethyl 3-[2-(2-hydroxyphenyl)phenyl]propanoate
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ethyl 3-(4-bromo-2-methylphenyl)propanoate
CID 124705554
ethyl 3-[3-(3-ethoxy-3-oxopropyl)phenyl]propanoate
CID 69039070
ethyl 2-(2-phenyl-1H-imidazol-5-yl)acetate
CID 141122236
(E)-3-[2-(3-ethoxy-3-oxopropyl)phenyl]prop-2-enoic acid
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ethyl 5-(3-phenylphenyl)pentanoate
CID 146915917
ethyl 4-[(5-phenyl-1H-imidazol-2-yl)amino]butanoate
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Frequently Asked Questions

What is the IUPAC name of ethyl 3-(2,5-diphenyl-1H-pyrrol-3-yl)propanoate?
The IUPAC name of ethyl 3-(2,5-diphenyl-1H-pyrrol-3-yl)propanoate (CID 169229845) is ethyl 3-(2,5-diphenyl-1H-pyrrol-3-yl)propanoate.
What is the SMILES notation for ethyl 3-(2,5-diphenyl-1H-pyrrol-3-yl)propanoate?
The canonical SMILES for ethyl 3-(2,5-diphenyl-1H-pyrrol-3-yl)propanoate is CCOC(=O)CCc1cc(-c2ccccc2)[nH]c1-c1ccccc1.
What is the InChIKey of ethyl 3-(2,5-diphenyl-1H-pyrrol-3-yl)propanoate?
The InChIKey is RYOJQQOSVSRZMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21NO2/c1-2-24-20(23)14-13-18-15-19(16-9-5-3-6-10-16)22-21(18)17-11-7-4-8-12-17/h3-12,15,22H,2,13-14H2,1H3.
What are the key properties of ethyl 3-(2,5-diphenyl-1H-pyrrol-3-yl)propanoate?
ethyl 3-(2,5-diphenyl-1H-pyrrol-3-yl)propanoate has a molecular weight of 319.40 g/mol, XLogP of 4.84, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-(2,5-diphenyl-1H-pyrrol-3-yl)propanoate is sourced from PubChem (CID 169229845), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).