2-methyl-1,5-diphenylpyrrole-3-carboxylic acid

C18H15NO2 — CID 2735512

IUPAC2-methyl-1,5-diphenylpyrrole-3-carboxylic acid
SMILESCc1c(C(=O)O)cc(-c2ccccc2)n1-c1ccccc1
InChIInChI=1S/C18H15NO2/c1-13-16(18(20)21)12-17(14-8-4-2-5-9-14)19(13)15-10-6-3-7-11-15/h2-12H,1H3,(H,20,21)
InChIKeyDWIYTBRYOQDHTE-UHFFFAOYSA-N
MW277.32 g/mol
LogP4.15
Rot. Bonds3

About 2-methyl-1,5-diphenylpyrrole-3-carboxylic acid

2-methyl-1,5-diphenylpyrrole-3-carboxylic acid (PubChem CID 2735512) has the molecular formula C18H15NO2 and a molecular weight of 277.32 g/mol. Its IUPAC name is 2-methyl-1,5-diphenylpyrrole-3-carboxylic acid.

Molecular Properties

Compound Name2-methyl-1,5-diphenylpyrrole-3-carboxylic acid
PubChem CID2735512
Molecular FormulaC18H15NO2
Molecular Weight277.32 g/mol
Exact Mass277.11
IUPAC Name2-methyl-1,5-diphenylpyrrole-3-carboxylic acid
SMILESCc1c(C(=O)O)cc(-c2ccccc2)n1-c1ccccc1
InChIInChI=1S/C18H15NO2/c1-13-16(18(20)21)12-17(14-8-4-2-5-9-14)19(13)15-10-6-3-7-11-15/h2-12H,1H3,(H,20,21)
InChIKeyDWIYTBRYOQDHTE-UHFFFAOYSA-N
XLogP4.15
TPSA42.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.32
LogP ≤ 54.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'pyrrole_B(29)', 'substructure': 'N/A'}

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Related Compounds

Cinchophen
CID 8593
3-(2,5-dimethyl-1H-pyrrol-1-yl)benzoic acid
CID 213329
1-(4-Chlorophenyl)-2,5-dimethyl-1H-pyrrole-3-carboxylic acid
CID 2739317
4-(2,5-Dimethyl-1H-pyrrol-1-yl)benzoic acid
CID 459078
2,6-Diphenylisonicotinic acid
CID 3490694
2-(2,5-dimethyl-1H-pyrrol-1-yl)-5-hydroxybenzoic acid
CID 767146
4-(2,5-Dimethyl-Pyrrol-1-Ylmethyl)-Benzoic Acid
CID 659752
5-chloro-2-(2,5-dimethyl-1H-pyrrol-1-yl)benzoic acid
CID 767153
2-Methyl-6-phenylpyridine-3-carboxylic acid
CID 822960
3-Methyl-2-phenylquinoline-4-carboxylic acid
CID 673710
2-Methyl-3-quinolinecarboxylic acid
CID 1481999
9-benzyl-2,3,4,9-tetrahydro-1H-carbazole-8-carboxylic acid
CID 10017976

Frequently Asked Questions

What is the IUPAC name of 2-methyl-1,5-diphenylpyrrole-3-carboxylic acid?
The IUPAC name of 2-methyl-1,5-diphenylpyrrole-3-carboxylic acid (CID 2735512) is 2-methyl-1,5-diphenylpyrrole-3-carboxylic acid.
What is the SMILES notation for 2-methyl-1,5-diphenylpyrrole-3-carboxylic acid?
The canonical SMILES for 2-methyl-1,5-diphenylpyrrole-3-carboxylic acid is Cc1c(C(=O)O)cc(-c2ccccc2)n1-c1ccccc1.
What is the InChIKey of 2-methyl-1,5-diphenylpyrrole-3-carboxylic acid?
The InChIKey is DWIYTBRYOQDHTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15NO2/c1-13-16(18(20)21)12-17(14-8-4-2-5-9-14)19(13)15-10-6-3-7-11-15/h2-12H,1H3,(H,20,21).
What are the key properties of 2-methyl-1,5-diphenylpyrrole-3-carboxylic acid?
2-methyl-1,5-diphenylpyrrole-3-carboxylic acid has a molecular weight of 277.32 g/mol, XLogP of 4.15, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1,5-diphenylpyrrole-3-carboxylic acid is sourced from PubChem (CID 2735512), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).