4-(2-cyclopropylpropanoyl)-1H-pyrrole-2-carboxylic acid

C11H13NO3 — CID 83154757

IUPAC4-(2-cyclopropylpropanoyl)-1H-pyrrole-2-carboxylic acid
SMILESCC(C(=O)c1c[nH]c(C(=O)O)c1)C1CC1
InChIInChI=1S/C11H13NO3/c1-6(7-2-3-7)10(13)8-4-9(11(14)15)12-5-8/h4-7,12H,2-3H2,1H3,(H,14,15)
InChIKeyPDFNLGPLOHVOFD-UHFFFAOYSA-N
MW207.23 g/mol
LogP1.94
Rot. Bonds4

About 4-(2-cyclopropylpropanoyl)-1H-pyrrole-2-carboxylic acid

4-(2-cyclopropylpropanoyl)-1H-pyrrole-2-carboxylic acid (PubChem CID 83154757) has the molecular formula C11H13NO3 and a molecular weight of 207.23 g/mol. Its IUPAC name is 4-(2-cyclopropylpropanoyl)-1H-pyrrole-2-carboxylic acid.

Molecular Properties

Compound Name4-(2-cyclopropylpropanoyl)-1H-pyrrole-2-carboxylic acid
PubChem CID83154757
Molecular FormulaC11H13NO3
Molecular Weight207.23 g/mol
Exact Mass207.09
IUPAC Name4-(2-cyclopropylpropanoyl)-1H-pyrrole-2-carboxylic acid
SMILESCC(C(=O)c1c[nH]c(C(=O)O)c1)C1CC1
InChIInChI=1S/C11H13NO3/c1-6(7-2-3-7)10(13)8-4-9(11(14)15)12-5-8/h4-7,12H,2-3H2,1H3,(H,14,15)
InChIKeyPDFNLGPLOHVOFD-UHFFFAOYSA-N
XLogP1.94
TPSA70.16 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.23
LogP ≤ 51.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

4-(cyclopentanecarbonyl)-1H-pyrrole-2-carboxylic acid
CID 43162012
4-(2-ethylbutanoyl)-1H-pyrrole-2-carboxylic acid
CID 1489186
2-cycloheptyl-1-phenylpropan-1-one
CID 104844954
4-(1-methylcyclopropanecarbonyl)-1H-pyrrole-2-carboxylic acid
CID 130553027
2-cyclopropyl-1-(3,5-dimethoxyphenyl)propan-1-one
CID 115785456
4-propan-2-yl-1H-pyrrole-2-carboxylic acid
CID 67231761
4-(oxolane-2-carbonyl)-1H-pyrrole-2-carboxylic acid
CID 43162006
2-[1-(4-acetyl-1H-pyrrole-2-carbonyl)pyrrolidin-2-yl]propanoic acid
CID 166270985
4-(dicyclopropylmethylsulfamoyl)-1H-pyrrole-2-carboxylic acid
CID 61482761
4-benzoyl-1H-pyrrole-2-carboxylic acid
CID 2763446
2-cyclopropyl-1-thiophen-3-ylpropan-1-one
CID 114975207
4-(2,4,6-trimethylbenzoyl)-1H-pyrrole-2-carboxylic acid
CID 43340298

Frequently Asked Questions

What is the IUPAC name of 4-(2-cyclopropylpropanoyl)-1H-pyrrole-2-carboxylic acid?
The IUPAC name of 4-(2-cyclopropylpropanoyl)-1H-pyrrole-2-carboxylic acid (CID 83154757) is 4-(2-cyclopropylpropanoyl)-1H-pyrrole-2-carboxylic acid.
What is the SMILES notation for 4-(2-cyclopropylpropanoyl)-1H-pyrrole-2-carboxylic acid?
The canonical SMILES for 4-(2-cyclopropylpropanoyl)-1H-pyrrole-2-carboxylic acid is CC(C(=O)c1c[nH]c(C(=O)O)c1)C1CC1.
What is the InChIKey of 4-(2-cyclopropylpropanoyl)-1H-pyrrole-2-carboxylic acid?
The InChIKey is PDFNLGPLOHVOFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13NO3/c1-6(7-2-3-7)10(13)8-4-9(11(14)15)12-5-8/h4-7,12H,2-3H2,1H3,(H,14,15).
What are the key properties of 4-(2-cyclopropylpropanoyl)-1H-pyrrole-2-carboxylic acid?
4-(2-cyclopropylpropanoyl)-1H-pyrrole-2-carboxylic acid has a molecular weight of 207.23 g/mol, XLogP of 1.94, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-cyclopropylpropanoyl)-1H-pyrrole-2-carboxylic acid is sourced from PubChem (CID 83154757), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).