1-methyl-5-(2-propan-2-ylphenyl)pyrrole-2-carboxylic acid

C15H17NO2 — CID 43671705

IUPAC1-methyl-5-(2-propan-2-ylphenyl)pyrrole-2-carboxylic acid
SMILESCC(C)c1ccccc1-c1ccc(C(=O)O)n1C
InChIInChI=1S/C15H17NO2/c1-10(2)11-6-4-5-7-12(11)13-8-9-14(15(17)18)16(13)3/h4-10H,1-3H3,(H,17,18)
InChIKeyUHUZOMJWAPONJA-UHFFFAOYSA-N
MW243.31 g/mol
LogP3.51
Rot. Bonds3

About 1-methyl-5-(2-propan-2-ylphenyl)pyrrole-2-carboxylic acid

1-methyl-5-(2-propan-2-ylphenyl)pyrrole-2-carboxylic acid (PubChem CID 43671705) has the molecular formula C15H17NO2 and a molecular weight of 243.31 g/mol. Its IUPAC name is 1-methyl-5-(2-propan-2-ylphenyl)pyrrole-2-carboxylic acid.

Molecular Properties

Compound Name1-methyl-5-(2-propan-2-ylphenyl)pyrrole-2-carboxylic acid
PubChem CID43671705
Molecular FormulaC15H17NO2
Molecular Weight243.31 g/mol
Exact Mass243.13
IUPAC Name1-methyl-5-(2-propan-2-ylphenyl)pyrrole-2-carboxylic acid
SMILESCC(C)c1ccccc1-c1ccc(C(=O)O)n1C
InChIInChI=1S/C15H17NO2/c1-10(2)11-6-4-5-7-12(11)13-8-9-14(15(17)18)16(13)3/h4-10H,1-3H3,(H,17,18)
InChIKeyUHUZOMJWAPONJA-UHFFFAOYSA-N
XLogP3.51
TPSA42.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.31
LogP ≤ 53.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

5-(2-bromo-3-chlorophenyl)-1-methylpyrrole-2-carboxylic acid
CID 103481210
5-(2,4-dimethylphenyl)-1-methylpyrrole-2-carboxylic acid
CID 43671773
1-[1-methyl-5-(2-methylphenyl)pyrrol-2-yl]ethanone
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1-methyl-5-(4-methyl-2-phenylpyrimidin-5-yl)pyrrole-2-carboxylic acid
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1-methyl-5-(2-phenylpyrazol-3-yl)pyrrole-2-carboxylic acid
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5-(7-methoxy-1H-indol-3-yl)-1-methylpyrrole-2-carboxylic acid
CID 115110289
3-hydroxy-4-oxo-6-(2-propan-2-ylphenyl)-1H-pyridine-2-carboxylic acid
CID 138539267
1-methyl-4-oxo-8-propan-2-ylquinoline-2-carboxylic acid
CID 82244120
5-(2-methoxy-5-methylphenyl)-1-methylpyrrole-2-carboxylic acid
CID 82085728
2-(2-propan-2-ylphenyl)propanoic acid
CID 66999361
1-methyl-3-phenyl-5-[2-(2,2,2-trifluoro-1-hydroxyethyl)phenyl]pyrrole-2-carboxylic acid
CID 135385703

Frequently Asked Questions

What is the IUPAC name of 1-methyl-5-(2-propan-2-ylphenyl)pyrrole-2-carboxylic acid?
The IUPAC name of 1-methyl-5-(2-propan-2-ylphenyl)pyrrole-2-carboxylic acid (CID 43671705) is 1-methyl-5-(2-propan-2-ylphenyl)pyrrole-2-carboxylic acid.
What is the SMILES notation for 1-methyl-5-(2-propan-2-ylphenyl)pyrrole-2-carboxylic acid?
The canonical SMILES for 1-methyl-5-(2-propan-2-ylphenyl)pyrrole-2-carboxylic acid is CC(C)c1ccccc1-c1ccc(C(=O)O)n1C.
What is the InChIKey of 1-methyl-5-(2-propan-2-ylphenyl)pyrrole-2-carboxylic acid?
The InChIKey is UHUZOMJWAPONJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17NO2/c1-10(2)11-6-4-5-7-12(11)13-8-9-14(15(17)18)16(13)3/h4-10H,1-3H3,(H,17,18).
What are the key properties of 1-methyl-5-(2-propan-2-ylphenyl)pyrrole-2-carboxylic acid?
1-methyl-5-(2-propan-2-ylphenyl)pyrrole-2-carboxylic acid has a molecular weight of 243.31 g/mol, XLogP of 3.51, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-5-(2-propan-2-ylphenyl)pyrrole-2-carboxylic acid is sourced from PubChem (CID 43671705), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).