ethyl 1-(2-phenoxyethyl)pyrrole-2-carboxylate

C15H17NO3 — CID 105421875

IUPACethyl 1-(2-phenoxyethyl)pyrrole-2-carboxylate
SMILESCCOC(=O)c1cccn1CCOc1ccccc1
InChIInChI=1S/C15H17NO3/c1-2-18-15(17)14-9-6-10-16(14)11-12-19-13-7-4-3-5-8-13/h3-10H,2,11-12H2,1H3
InChIKeyDWDVEMFKBMRQRK-UHFFFAOYSA-N
MW259.31 g/mol
LogP2.74
Rot. Bonds6

About ethyl 1-(2-phenoxyethyl)pyrrole-2-carboxylate

ethyl 1-(2-phenoxyethyl)pyrrole-2-carboxylate (PubChem CID 105421875) has the molecular formula C15H17NO3 and a molecular weight of 259.31 g/mol. Its IUPAC name is ethyl 1-(2-phenoxyethyl)pyrrole-2-carboxylate.

Molecular Properties

Compound Nameethyl 1-(2-phenoxyethyl)pyrrole-2-carboxylate
PubChem CID105421875
Molecular FormulaC15H17NO3
Molecular Weight259.31 g/mol
Exact Mass259.12
IUPAC Nameethyl 1-(2-phenoxyethyl)pyrrole-2-carboxylate
SMILESCCOC(=O)c1cccn1CCOc1ccccc1
InChIInChI=1S/C15H17NO3/c1-2-18-15(17)14-9-6-10-16(14)11-12-19-13-7-4-3-5-8-13/h3-10H,2,11-12H2,1H3
InChIKeyDWDVEMFKBMRQRK-UHFFFAOYSA-N
XLogP2.74
TPSA40.46 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.31
LogP ≤ 52.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-[1-(2-phenoxyethyl)pyrrol-2-yl]ethanone
CID 79107007
ethyl 1-[2-(2-hydroxyethoxy)ethyl]pyrrole-2-carboxylate
CID 105422074
ethyl 1-[2-(trifluoromethoxy)ethyl]pyrrole-2-carboxylate
CID 105421997
5-(2-ethoxycarbonylpyrrol-1-yl)pentanoic acid
CID 83793284
1-(3-phenoxypropyl)pyrrole-2-carboxylic acid
CID 62381154
ethyl 1-[2-(diethylamino)ethyl]pyrrole-2-carboxylate
CID 105422054
ethyl 1-[3-(dimethylamino)propyl]pyrrole-2-carboxylate
CID 105422127
ethyl 1-[3-(2,2,2-trifluoroethoxy)propyl]pyrrole-2-carboxylate
CID 105422096
ethyl 1-(2-methylbutyl)pyrrole-2-carboxylate
CID 102604439
ethyl 1-(1-phenylethyl)pyrrole-2-carboxylate
CID 75166606
ethyl 1-(cyclopentylmethyl)pyrrole-2-carboxylate
CID 105422013
ethyl 1-[[4-(aminomethyl)phenyl]methyl]pyrrole-2-carboxylate
CID 71537103

Frequently Asked Questions

What is the IUPAC name of ethyl 1-(2-phenoxyethyl)pyrrole-2-carboxylate?
The IUPAC name of ethyl 1-(2-phenoxyethyl)pyrrole-2-carboxylate (CID 105421875) is ethyl 1-(2-phenoxyethyl)pyrrole-2-carboxylate.
What is the SMILES notation for ethyl 1-(2-phenoxyethyl)pyrrole-2-carboxylate?
The canonical SMILES for ethyl 1-(2-phenoxyethyl)pyrrole-2-carboxylate is CCOC(=O)c1cccn1CCOc1ccccc1.
What is the InChIKey of ethyl 1-(2-phenoxyethyl)pyrrole-2-carboxylate?
The InChIKey is DWDVEMFKBMRQRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17NO3/c1-2-18-15(17)14-9-6-10-16(14)11-12-19-13-7-4-3-5-8-13/h3-10H,2,11-12H2,1H3.
What are the key properties of ethyl 1-(2-phenoxyethyl)pyrrole-2-carboxylate?
ethyl 1-(2-phenoxyethyl)pyrrole-2-carboxylate has a molecular weight of 259.31 g/mol, XLogP of 2.74, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 1-(2-phenoxyethyl)pyrrole-2-carboxylate is sourced from PubChem (CID 105421875), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).