phenyl-(4-phenyl-1H-pyrrol-3-yl)methanone

C17H13NO — CID 845957

IUPACphenyl-(4-phenyl-1H-pyrrol-3-yl)methanone
SMILESO=C(c1ccccc1)c1c[nH]cc1-c1ccccc1
InChIInChI=1S/C17H13NO/c19-17(14-9-5-2-6-10-14)16-12-18-11-15(16)13-7-3-1-4-8-13/h1-12,18H
InChIKeyBGUXLYQCKMLUIN-UHFFFAOYSA-N
MW247.30 g/mol
LogP3.91
Rot. Bonds3

About phenyl-(4-phenyl-1H-pyrrol-3-yl)methanone

phenyl-(4-phenyl-1H-pyrrol-3-yl)methanone (PubChem CID 845957) has the molecular formula C17H13NO and a molecular weight of 247.30 g/mol. Its IUPAC name is phenyl-(4-phenyl-1H-pyrrol-3-yl)methanone.

Molecular Properties

Compound Namephenyl-(4-phenyl-1H-pyrrol-3-yl)methanone
PubChem CID845957
Molecular FormulaC17H13NO
Molecular Weight247.30 g/mol
Exact Mass247.10
IUPAC Namephenyl-(4-phenyl-1H-pyrrol-3-yl)methanone
SMILESO=C(c1ccccc1)c1c[nH]cc1-c1ccccc1
InChIInChI=1S/C17H13NO/c19-17(14-9-5-2-6-10-14)16-12-18-11-15(16)13-7-3-1-4-8-13/h1-12,18H
InChIKeyBGUXLYQCKMLUIN-UHFFFAOYSA-N
XLogP3.91
TPSA32.86 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.30
LogP ≤ 53.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of phenyl-(4-phenyl-1H-pyrrol-3-yl)methanone?
The IUPAC name of phenyl-(4-phenyl-1H-pyrrol-3-yl)methanone (CID 845957) is phenyl-(4-phenyl-1H-pyrrol-3-yl)methanone.
What is the SMILES notation for phenyl-(4-phenyl-1H-pyrrol-3-yl)methanone?
The canonical SMILES for phenyl-(4-phenyl-1H-pyrrol-3-yl)methanone is O=C(c1ccccc1)c1c[nH]cc1-c1ccccc1.
What is the InChIKey of phenyl-(4-phenyl-1H-pyrrol-3-yl)methanone?
The InChIKey is BGUXLYQCKMLUIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13NO/c19-17(14-9-5-2-6-10-14)16-12-18-11-15(16)13-7-3-1-4-8-13/h1-12,18H.
What are the key properties of phenyl-(4-phenyl-1H-pyrrol-3-yl)methanone?
phenyl-(4-phenyl-1H-pyrrol-3-yl)methanone has a molecular weight of 247.30 g/mol, XLogP of 3.91, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for phenyl-(4-phenyl-1H-pyrrol-3-yl)methanone is sourced from PubChem (CID 845957), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).