4-(3-benzoylpyrrol-1-yl)butanoic acid

C15H15NO3 — CID 46229307

IUPAC4-(3-benzoylpyrrol-1-yl)butanoic acid
SMILESO=C(O)CCCn1ccc(C(=O)c2ccccc2)c1
InChIInChI=1S/C15H15NO3/c17-14(18)7-4-9-16-10-8-13(11-16)15(19)12-5-2-1-3-6-12/h1-3,5-6,8,10-11H,4,7,9H2,(H,17,18)
InChIKeyDMGGHIOFOITOLX-UHFFFAOYSA-N
MW257.29 g/mol
LogP2.58
Rot. Bonds6

About 4-(3-benzoylpyrrol-1-yl)butanoic acid

4-(3-benzoylpyrrol-1-yl)butanoic acid (PubChem CID 46229307) has the molecular formula C15H15NO3 and a molecular weight of 257.29 g/mol. Its IUPAC name is 4-(3-benzoylpyrrol-1-yl)butanoic acid.

Molecular Properties

Compound Name4-(3-benzoylpyrrol-1-yl)butanoic acid
PubChem CID46229307
Molecular FormulaC15H15NO3
Molecular Weight257.29 g/mol
Exact Mass257.11
IUPAC Name4-(3-benzoylpyrrol-1-yl)butanoic acid
SMILESO=C(O)CCCn1ccc(C(=O)c2ccccc2)c1
InChIInChI=1S/C15H15NO3/c17-14(18)7-4-9-16-10-8-13(11-16)15(19)12-5-2-1-3-6-12/h1-3,5-6,8,10-11H,4,7,9H2,(H,17,18)
InChIKeyDMGGHIOFOITOLX-UHFFFAOYSA-N
XLogP2.58
TPSA59.30 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.29
LogP ≤ 52.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(3-benzoylpyrrol-1-yl)butanoic acid?
The IUPAC name of 4-(3-benzoylpyrrol-1-yl)butanoic acid (CID 46229307) is 4-(3-benzoylpyrrol-1-yl)butanoic acid.
What is the SMILES notation for 4-(3-benzoylpyrrol-1-yl)butanoic acid?
The canonical SMILES for 4-(3-benzoylpyrrol-1-yl)butanoic acid is O=C(O)CCCn1ccc(C(=O)c2ccccc2)c1.
What is the InChIKey of 4-(3-benzoylpyrrol-1-yl)butanoic acid?
The InChIKey is DMGGHIOFOITOLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15NO3/c17-14(18)7-4-9-16-10-8-13(11-16)15(19)12-5-2-1-3-6-12/h1-3,5-6,8,10-11H,4,7,9H2,(H,17,18).
What are the key properties of 4-(3-benzoylpyrrol-1-yl)butanoic acid?
4-(3-benzoylpyrrol-1-yl)butanoic acid has a molecular weight of 257.29 g/mol, XLogP of 2.58, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-benzoylpyrrol-1-yl)butanoic acid is sourced from PubChem (CID 46229307), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).