2,5-dimethyl-1-(2-methylcyclohexyl)pyrrole-3-carboxylic acid

C14H21NO2 — CID 43180347

IUPAC2,5-dimethyl-1-(2-methylcyclohexyl)pyrrole-3-carboxylic acid
SMILESCc1cc(C(=O)O)c(C)n1C1CCCCC1C
InChIInChI=1S/C14H21NO2/c1-9-6-4-5-7-13(9)15-10(2)8-12(11(15)3)14(16)17/h8-9,13H,4-7H2,1-3H3,(H,16,17)
InChIKeyCLMOUFNYGJSXCO-UHFFFAOYSA-N
MW235.33 g/mol
LogP3.55
Rot. Bonds2

About 2,5-dimethyl-1-(2-methylcyclohexyl)pyrrole-3-carboxylic acid

2,5-dimethyl-1-(2-methylcyclohexyl)pyrrole-3-carboxylic acid (PubChem CID 43180347) has the molecular formula C14H21NO2 and a molecular weight of 235.33 g/mol. Its IUPAC name is 2,5-dimethyl-1-(2-methylcyclohexyl)pyrrole-3-carboxylic acid.

Molecular Properties

Compound Name2,5-dimethyl-1-(2-methylcyclohexyl)pyrrole-3-carboxylic acid
PubChem CID43180347
Molecular FormulaC14H21NO2
Molecular Weight235.33 g/mol
Exact Mass235.16
IUPAC Name2,5-dimethyl-1-(2-methylcyclohexyl)pyrrole-3-carboxylic acid
SMILESCc1cc(C(=O)O)c(C)n1C1CCCCC1C
InChIInChI=1S/C14H21NO2/c1-9-6-4-5-7-13(9)15-10(2)8-12(11(15)3)14(16)17/h8-9,13H,4-7H2,1-3H3,(H,16,17)
InChIKeyCLMOUFNYGJSXCO-UHFFFAOYSA-N
XLogP3.55
TPSA42.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.33
LogP ≤ 53.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2,5-dimethyl-1-(2-methylcyclohexyl)pyrrole-3-carboxylic acid?
The IUPAC name of 2,5-dimethyl-1-(2-methylcyclohexyl)pyrrole-3-carboxylic acid (CID 43180347) is 2,5-dimethyl-1-(2-methylcyclohexyl)pyrrole-3-carboxylic acid.
What is the SMILES notation for 2,5-dimethyl-1-(2-methylcyclohexyl)pyrrole-3-carboxylic acid?
The canonical SMILES for 2,5-dimethyl-1-(2-methylcyclohexyl)pyrrole-3-carboxylic acid is Cc1cc(C(=O)O)c(C)n1C1CCCCC1C.
What is the InChIKey of 2,5-dimethyl-1-(2-methylcyclohexyl)pyrrole-3-carboxylic acid?
The InChIKey is CLMOUFNYGJSXCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO2/c1-9-6-4-5-7-13(9)15-10(2)8-12(11(15)3)14(16)17/h8-9,13H,4-7H2,1-3H3,(H,16,17).
What are the key properties of 2,5-dimethyl-1-(2-methylcyclohexyl)pyrrole-3-carboxylic acid?
2,5-dimethyl-1-(2-methylcyclohexyl)pyrrole-3-carboxylic acid has a molecular weight of 235.33 g/mol, XLogP of 3.55, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dimethyl-1-(2-methylcyclohexyl)pyrrole-3-carboxylic acid is sourced from PubChem (CID 43180347), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).