1-methyl-4-(2,2,3,3-tetramethylcyclopropanecarbonyl)pyrrole-2-carboxylic acid

C14H19NO3 — CID 66478199

IUPAC1-methyl-4-(2,2,3,3-tetramethylcyclopropanecarbonyl)pyrrole-2-carboxylic acid
SMILESCn1cc(C(=O)C2C(C)(C)C2(C)C)cc1C(=O)O
InChIInChI=1S/C14H19NO3/c1-13(2)11(14(13,3)4)10(16)8-6-9(12(17)18)15(5)7-8/h6-7,11H,1-5H3,(H,17,18)
InChIKeyHGLLTAFTRDGPOS-UHFFFAOYSA-N
MW249.31 g/mol
LogP2.59
Rot. Bonds3

About 1-methyl-4-(2,2,3,3-tetramethylcyclopropanecarbonyl)pyrrole-2-carboxylic acid

1-methyl-4-(2,2,3,3-tetramethylcyclopropanecarbonyl)pyrrole-2-carboxylic acid (PubChem CID 66478199) has the molecular formula C14H19NO3 and a molecular weight of 249.31 g/mol. Its IUPAC name is 1-methyl-4-(2,2,3,3-tetramethylcyclopropanecarbonyl)pyrrole-2-carboxylic acid.

Molecular Properties

Compound Name1-methyl-4-(2,2,3,3-tetramethylcyclopropanecarbonyl)pyrrole-2-carboxylic acid
PubChem CID66478199
Molecular FormulaC14H19NO3
Molecular Weight249.31 g/mol
Exact Mass249.14
IUPAC Name1-methyl-4-(2,2,3,3-tetramethylcyclopropanecarbonyl)pyrrole-2-carboxylic acid
SMILESCn1cc(C(=O)C2C(C)(C)C2(C)C)cc1C(=O)O
InChIInChI=1S/C14H19NO3/c1-13(2)11(14(13,3)4)10(16)8-6-9(12(17)18)15(5)7-8/h6-7,11H,1-5H3,(H,17,18)
InChIKeyHGLLTAFTRDGPOS-UHFFFAOYSA-N
XLogP2.59
TPSA59.30 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.31
LogP ≤ 52.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-4-(2,2,3,3-tetramethylcyclopropanecarbonyl)pyrrole-2-carboxylic acid?
The IUPAC name of 1-methyl-4-(2,2,3,3-tetramethylcyclopropanecarbonyl)pyrrole-2-carboxylic acid (CID 66478199) is 1-methyl-4-(2,2,3,3-tetramethylcyclopropanecarbonyl)pyrrole-2-carboxylic acid.
What is the SMILES notation for 1-methyl-4-(2,2,3,3-tetramethylcyclopropanecarbonyl)pyrrole-2-carboxylic acid?
The canonical SMILES for 1-methyl-4-(2,2,3,3-tetramethylcyclopropanecarbonyl)pyrrole-2-carboxylic acid is Cn1cc(C(=O)C2C(C)(C)C2(C)C)cc1C(=O)O.
What is the InChIKey of 1-methyl-4-(2,2,3,3-tetramethylcyclopropanecarbonyl)pyrrole-2-carboxylic acid?
The InChIKey is HGLLTAFTRDGPOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NO3/c1-13(2)11(14(13,3)4)10(16)8-6-9(12(17)18)15(5)7-8/h6-7,11H,1-5H3,(H,17,18).
What are the key properties of 1-methyl-4-(2,2,3,3-tetramethylcyclopropanecarbonyl)pyrrole-2-carboxylic acid?
1-methyl-4-(2,2,3,3-tetramethylcyclopropanecarbonyl)pyrrole-2-carboxylic acid has a molecular weight of 249.31 g/mol, XLogP of 2.59, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-4-(2,2,3,3-tetramethylcyclopropanecarbonyl)pyrrole-2-carboxylic acid is sourced from PubChem (CID 66478199), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).