2-phenyl-1-(1-phenylpropyl)pyrrole-3-carboxylic acid

C20H19NO2 — CID 68665395

IUPAC2-phenyl-1-(1-phenylpropyl)pyrrole-3-carboxylic acid
SMILESCCC(c1ccccc1)n1ccc(C(=O)O)c1-c1ccccc1
InChIInChI=1S/C20H19NO2/c1-2-18(15-9-5-3-6-10-15)21-14-13-17(20(22)23)19(21)16-11-7-4-8-12-16/h3-14,18H,2H2,1H3,(H,22,23)
InChIKeyHKHJLJLGGHYVEO-UHFFFAOYSA-N
MW305.38 g/mol
LogP4.85
Rot. Bonds5

About 2-phenyl-1-(1-phenylpropyl)pyrrole-3-carboxylic acid

2-phenyl-1-(1-phenylpropyl)pyrrole-3-carboxylic acid (PubChem CID 68665395) has the molecular formula C20H19NO2 and a molecular weight of 305.38 g/mol. Its IUPAC name is 2-phenyl-1-(1-phenylpropyl)pyrrole-3-carboxylic acid.

Molecular Properties

Compound Name2-phenyl-1-(1-phenylpropyl)pyrrole-3-carboxylic acid
PubChem CID68665395
Molecular FormulaC20H19NO2
Molecular Weight305.38 g/mol
Exact Mass305.14
IUPAC Name2-phenyl-1-(1-phenylpropyl)pyrrole-3-carboxylic acid
SMILESCCC(c1ccccc1)n1ccc(C(=O)O)c1-c1ccccc1
InChIInChI=1S/C20H19NO2/c1-2-18(15-9-5-3-6-10-15)21-14-13-17(20(22)23)19(21)16-11-7-4-8-12-16/h3-14,18H,2H2,1H3,(H,22,23)
InChIKeyHKHJLJLGGHYVEO-UHFFFAOYSA-N
XLogP4.85
TPSA42.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.38
LogP ≤ 54.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-methyl-1-[(1S)-1-phenylpropyl]pyrrole
CID 175326097
1-[(1R)-2-hydroxy-1-phenylethyl]-2-oxopyridine-3-carboxylic acid
CID 67476038
1-(4-hydroxyphenyl)-2-phenylpyrrole-3-carboxylic acid
CID 82362678
1-(2-chlorophenyl)-2-phenylpyrrole-3-carboxylic acid
CID 82362681
2-[4-methyl-1-(1-phenylpropyl)imidazol-2-yl]sulfanylacetic acid
CID 81336484
5-methyl-1-(1-phenylpropyl)indole-3-carbonyl chloride
CID 172844267
(3R)-1-(1-phenylpropyl)pyrrolidin-3-ol
CID 111332576
2-[(1S)-1-phenylpropyl]isoindole-1,3-dione
CID 174517685
1-[(1R)-1-phenylpropyl]azepane
CID 97315480
oxalic acid;1-phenylpropylbenzene
CID 67824543
benzyl 1-(1-phenylpropyl)azetidine-2-carboxylate
CID 23303238
2-[2-(butan-2-ylamino)-2-oxoethyl]sulfanylbenzoic acid
CID 16795753

Frequently Asked Questions

What is the IUPAC name of 2-phenyl-1-(1-phenylpropyl)pyrrole-3-carboxylic acid?
The IUPAC name of 2-phenyl-1-(1-phenylpropyl)pyrrole-3-carboxylic acid (CID 68665395) is 2-phenyl-1-(1-phenylpropyl)pyrrole-3-carboxylic acid.
What is the SMILES notation for 2-phenyl-1-(1-phenylpropyl)pyrrole-3-carboxylic acid?
The canonical SMILES for 2-phenyl-1-(1-phenylpropyl)pyrrole-3-carboxylic acid is CCC(c1ccccc1)n1ccc(C(=O)O)c1-c1ccccc1.
What is the InChIKey of 2-phenyl-1-(1-phenylpropyl)pyrrole-3-carboxylic acid?
The InChIKey is HKHJLJLGGHYVEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19NO2/c1-2-18(15-9-5-3-6-10-15)21-14-13-17(20(22)23)19(21)16-11-7-4-8-12-16/h3-14,18H,2H2,1H3,(H,22,23).
What are the key properties of 2-phenyl-1-(1-phenylpropyl)pyrrole-3-carboxylic acid?
2-phenyl-1-(1-phenylpropyl)pyrrole-3-carboxylic acid has a molecular weight of 305.38 g/mol, XLogP of 4.85, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenyl-1-(1-phenylpropyl)pyrrole-3-carboxylic acid is sourced from PubChem (CID 68665395), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).