2-(2-phenylethyl)-1-propylpyrrole-3-carboxylic acid

C16H19NO2 — CID 84756196

IUPAC2-(2-phenylethyl)-1-propylpyrrole-3-carboxylic acid
SMILESCCCn1ccc(C(=O)O)c1CCc1ccccc1
InChIInChI=1S/C16H19NO2/c1-2-11-17-12-10-14(16(18)19)15(17)9-8-13-6-4-3-5-7-13/h3-7,10,12H,2,8-9,11H2,1H3,(H,18,19)
InChIKeySWAIQFDKTGWVIK-UHFFFAOYSA-N
MW257.33 g/mol
LogP3.38
Rot. Bonds6

About 2-(2-phenylethyl)-1-propylpyrrole-3-carboxylic acid

2-(2-phenylethyl)-1-propylpyrrole-3-carboxylic acid (PubChem CID 84756196) has the molecular formula C16H19NO2 and a molecular weight of 257.33 g/mol. Its IUPAC name is 2-(2-phenylethyl)-1-propylpyrrole-3-carboxylic acid.

Molecular Properties

Compound Name2-(2-phenylethyl)-1-propylpyrrole-3-carboxylic acid
PubChem CID84756196
Molecular FormulaC16H19NO2
Molecular Weight257.33 g/mol
Exact Mass257.14
IUPAC Name2-(2-phenylethyl)-1-propylpyrrole-3-carboxylic acid
SMILESCCCn1ccc(C(=O)O)c1CCc1ccccc1
InChIInChI=1S/C16H19NO2/c1-2-11-17-12-10-14(16(18)19)15(17)9-8-13-6-4-3-5-7-13/h3-7,10,12H,2,8-9,11H2,1H3,(H,18,19)
InChIKeySWAIQFDKTGWVIK-UHFFFAOYSA-N
XLogP3.38
TPSA42.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.33
LogP ≤ 53.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-benzyl-2-propylpyrrole-3-carboxylic acid
CID 84755817
2-(phenoxymethyl)-1-propylpyrrole-3-carboxylic acid
CID 84756223
2-ethyl-1-pentylpyrrole-3-carboxylic acid
CID 84618050
1-(2-anilino-2-oxoethyl)-2-propylpyrrole-3-carboxylic acid
CID 84755807
1-(2-amino-2-oxoethyl)-2-benzylpyrrole-3-carboxylic acid
CID 84756160
1-[2-(dimethylamino)ethyl]-2-ethylpyrrole-3-carboxylic acid
CID 84755783
1-(carboxymethyl)-2-ethylpyrrole-3-carboxylic acid
CID 84755749
2-ethyl-5-(2-phenylethyl)benzene-1,3-dicarboxylic acid
CID 175316956
1-amino-2-propylpyrrole-3-carboxylic acid
CID 68572057
5-ethyl-1-propylindole-7-carboxylic acid
CID 83946152
2-methyl-1-pentylpyrrole-3-carboxylic acid
CID 84618035
dodecylbenzene;2-methylbenzene-1,3-dicarboxylic acid
CID 174759493

Frequently Asked Questions

What is the IUPAC name of 2-(2-phenylethyl)-1-propylpyrrole-3-carboxylic acid?
The IUPAC name of 2-(2-phenylethyl)-1-propylpyrrole-3-carboxylic acid (CID 84756196) is 2-(2-phenylethyl)-1-propylpyrrole-3-carboxylic acid.
What is the SMILES notation for 2-(2-phenylethyl)-1-propylpyrrole-3-carboxylic acid?
The canonical SMILES for 2-(2-phenylethyl)-1-propylpyrrole-3-carboxylic acid is CCCn1ccc(C(=O)O)c1CCc1ccccc1.
What is the InChIKey of 2-(2-phenylethyl)-1-propylpyrrole-3-carboxylic acid?
The InChIKey is SWAIQFDKTGWVIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19NO2/c1-2-11-17-12-10-14(16(18)19)15(17)9-8-13-6-4-3-5-7-13/h3-7,10,12H,2,8-9,11H2,1H3,(H,18,19).
What are the key properties of 2-(2-phenylethyl)-1-propylpyrrole-3-carboxylic acid?
2-(2-phenylethyl)-1-propylpyrrole-3-carboxylic acid has a molecular weight of 257.33 g/mol, XLogP of 3.38, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-phenylethyl)-1-propylpyrrole-3-carboxylic acid is sourced from PubChem (CID 84756196), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).