3-(3-benzoylpyrrol-1-yl)propanoic acid

C14H13NO3 — CID 46229306

IUPAC3-(3-benzoylpyrrol-1-yl)propanoic acid
SMILESO=C(O)CCn1ccc(C(=O)c2ccccc2)c1
InChIInChI=1S/C14H13NO3/c16-13(17)7-9-15-8-6-12(10-15)14(18)11-4-2-1-3-5-11/h1-6,8,10H,7,9H2,(H,16,17)
InChIKeySZVSICYEXHCWBP-UHFFFAOYSA-N
MW243.26 g/mol
LogP2.19
Rot. Bonds5

About 3-(3-benzoylpyrrol-1-yl)propanoic acid

3-(3-benzoylpyrrol-1-yl)propanoic acid (PubChem CID 46229306) has the molecular formula C14H13NO3 and a molecular weight of 243.26 g/mol. Its IUPAC name is 3-(3-benzoylpyrrol-1-yl)propanoic acid.

Molecular Properties

Compound Name3-(3-benzoylpyrrol-1-yl)propanoic acid
PubChem CID46229306
Molecular FormulaC14H13NO3
Molecular Weight243.26 g/mol
Exact Mass243.09
IUPAC Name3-(3-benzoylpyrrol-1-yl)propanoic acid
SMILESO=C(O)CCn1ccc(C(=O)c2ccccc2)c1
InChIInChI=1S/C14H13NO3/c16-13(17)7-9-15-8-6-12(10-15)14(18)11-4-2-1-3-5-11/h1-6,8,10H,7,9H2,(H,16,17)
InChIKeySZVSICYEXHCWBP-UHFFFAOYSA-N
XLogP2.19
TPSA59.30 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.26
LogP ≤ 52.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(3-benzoylpyrrol-1-yl)propanoic acid?
The IUPAC name of 3-(3-benzoylpyrrol-1-yl)propanoic acid (CID 46229306) is 3-(3-benzoylpyrrol-1-yl)propanoic acid.
What is the SMILES notation for 3-(3-benzoylpyrrol-1-yl)propanoic acid?
The canonical SMILES for 3-(3-benzoylpyrrol-1-yl)propanoic acid is O=C(O)CCn1ccc(C(=O)c2ccccc2)c1.
What is the InChIKey of 3-(3-benzoylpyrrol-1-yl)propanoic acid?
The InChIKey is SZVSICYEXHCWBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13NO3/c16-13(17)7-9-15-8-6-12(10-15)14(18)11-4-2-1-3-5-11/h1-6,8,10H,7,9H2,(H,16,17).
What are the key properties of 3-(3-benzoylpyrrol-1-yl)propanoic acid?
3-(3-benzoylpyrrol-1-yl)propanoic acid has a molecular weight of 243.26 g/mol, XLogP of 2.19, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-benzoylpyrrol-1-yl)propanoic acid is sourced from PubChem (CID 46229306), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).