1-cyclopropyl-5-(2,4-dimethylphenyl)pyrrole-2-carboxylic acid

C16H17NO2 — CID 43671774

IUPAC1-cyclopropyl-5-(2,4-dimethylphenyl)pyrrole-2-carboxylic acid
SMILESCc1ccc(-c2ccc(C(=O)O)n2C2CC2)c(C)c1
InChIInChI=1S/C16H17NO2/c1-10-3-6-13(11(2)9-10)14-7-8-15(16(18)19)17(14)12-4-5-12/h3,6-9,12H,4-5H2,1-2H3,(H,18,19)
InChIKeyXOXRTRWUGPIPDW-UHFFFAOYSA-N
MW255.32 g/mol
LogP3.81
Rot. Bonds3

About 1-cyclopropyl-5-(2,4-dimethylphenyl)pyrrole-2-carboxylic acid

1-cyclopropyl-5-(2,4-dimethylphenyl)pyrrole-2-carboxylic acid (PubChem CID 43671774) has the molecular formula C16H17NO2 and a molecular weight of 255.32 g/mol. Its IUPAC name is 1-cyclopropyl-5-(2,4-dimethylphenyl)pyrrole-2-carboxylic acid.

Molecular Properties

Compound Name1-cyclopropyl-5-(2,4-dimethylphenyl)pyrrole-2-carboxylic acid
PubChem CID43671774
Molecular FormulaC16H17NO2
Molecular Weight255.32 g/mol
Exact Mass255.13
IUPAC Name1-cyclopropyl-5-(2,4-dimethylphenyl)pyrrole-2-carboxylic acid
SMILESCc1ccc(-c2ccc(C(=O)O)n2C2CC2)c(C)c1
InChIInChI=1S/C16H17NO2/c1-10-3-6-13(11(2)9-10)14-7-8-15(16(18)19)17(14)12-4-5-12/h3,6-9,12H,4-5H2,1-2H3,(H,18,19)
InChIKeyXOXRTRWUGPIPDW-UHFFFAOYSA-N
XLogP3.81
TPSA42.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.32
LogP ≤ 53.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

5-(2,4-dimethylphenyl)-1-methylpyrrole-2-carboxylic acid
CID 43671773
1-cyclopropyl-5-(2,5-difluoro-4-methylphenyl)pyrrole-2-carboxylic acid
CID 103587118
3-amino-1-cyclohexyl-6-(2,4-dimethylphenyl)pyridin-2-one
CID 82466873
3-(aminomethyl)-1-cyclopentyl-6-(2,4-dimethylphenyl)pyridin-2-one
CID 82189330
5-(4-bromo-3-methoxyphenyl)-1-cyclopropylpyrrole-2-carboxylic acid
CID 107622885
1-cyclopropyl-5-(4-propylphenyl)pyrrole-2-carboxylic acid
CID 43671663
4-(2,4-dimethylphenyl)-3-methylbenzoic acid
CID 53225261
1-cyclopropyl-6-(4-methylphenyl)-2-oxopyridine-3-carboxylic acid
CID 82520836
2-[6-(2,4-dimethylphenyl)-1-methyl-2-oxo-3-pyridinyl]acetic acid
CID 82520331
1-ethyl-5-(4-fluoro-2-methylphenyl)pyrrole-2-carboxylic acid
CID 43671786
5-(2-methoxy-5-methylphenyl)-1-methylpyrrole-2-carboxylic acid
CID 82085728
3-cyclopropyl-1-(2,4-dimethylphenyl)pyrazole-5-carboxylic acid
CID 83731165

Frequently Asked Questions

What is the IUPAC name of 1-cyclopropyl-5-(2,4-dimethylphenyl)pyrrole-2-carboxylic acid?
The IUPAC name of 1-cyclopropyl-5-(2,4-dimethylphenyl)pyrrole-2-carboxylic acid (CID 43671774) is 1-cyclopropyl-5-(2,4-dimethylphenyl)pyrrole-2-carboxylic acid.
What is the SMILES notation for 1-cyclopropyl-5-(2,4-dimethylphenyl)pyrrole-2-carboxylic acid?
The canonical SMILES for 1-cyclopropyl-5-(2,4-dimethylphenyl)pyrrole-2-carboxylic acid is Cc1ccc(-c2ccc(C(=O)O)n2C2CC2)c(C)c1.
What is the InChIKey of 1-cyclopropyl-5-(2,4-dimethylphenyl)pyrrole-2-carboxylic acid?
The InChIKey is XOXRTRWUGPIPDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17NO2/c1-10-3-6-13(11(2)9-10)14-7-8-15(16(18)19)17(14)12-4-5-12/h3,6-9,12H,4-5H2,1-2H3,(H,18,19).
What are the key properties of 1-cyclopropyl-5-(2,4-dimethylphenyl)pyrrole-2-carboxylic acid?
1-cyclopropyl-5-(2,4-dimethylphenyl)pyrrole-2-carboxylic acid has a molecular weight of 255.32 g/mol, XLogP of 3.81, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropyl-5-(2,4-dimethylphenyl)pyrrole-2-carboxylic acid is sourced from PubChem (CID 43671774), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).