1,4-diphenyl-3H-pyrrol-2-one

C16H13NO — CID 15752273

IUPAC1,4-diphenyl-3H-pyrrol-2-one
SMILESO=C1CC(c2ccccc2)=CN1c1ccccc1
InChIInChI=1S/C16H13NO/c18-16-11-14(13-7-3-1-4-8-13)12-17(16)15-9-5-2-6-10-15/h1-10,12H,11H2
InChIKeyPVPKDDDGAXGXQI-UHFFFAOYSA-N
MW235.29 g/mol
LogP3.46
Rot. Bonds2

About 1,4-diphenyl-3H-pyrrol-2-one

1,4-diphenyl-3H-pyrrol-2-one (PubChem CID 15752273) has the molecular formula C16H13NO and a molecular weight of 235.29 g/mol. Its IUPAC name is 1,4-diphenyl-3H-pyrrol-2-one.

Molecular Properties

Compound Name1,4-diphenyl-3H-pyrrol-2-one
PubChem CID15752273
Molecular FormulaC16H13NO
Molecular Weight235.29 g/mol
Exact Mass235.10
IUPAC Name1,4-diphenyl-3H-pyrrol-2-one
SMILESO=C1CC(c2ccccc2)=CN1c1ccccc1
InChIInChI=1S/C16H13NO/c18-16-11-14(13-7-3-1-4-8-13)12-17(16)15-9-5-2-6-10-15/h1-10,12H,11H2
InChIKeyPVPKDDDGAXGXQI-UHFFFAOYSA-N
XLogP3.46
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.29
LogP ≤ 53.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1,4-diphenyl-3H-pyrrol-2-one?
The IUPAC name of 1,4-diphenyl-3H-pyrrol-2-one (CID 15752273) is 1,4-diphenyl-3H-pyrrol-2-one.
What is the SMILES notation for 1,4-diphenyl-3H-pyrrol-2-one?
The canonical SMILES for 1,4-diphenyl-3H-pyrrol-2-one is O=C1CC(c2ccccc2)=CN1c1ccccc1.
What is the InChIKey of 1,4-diphenyl-3H-pyrrol-2-one?
The InChIKey is PVPKDDDGAXGXQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13NO/c18-16-11-14(13-7-3-1-4-8-13)12-17(16)15-9-5-2-6-10-15/h1-10,12H,11H2.
What are the key properties of 1,4-diphenyl-3H-pyrrol-2-one?
1,4-diphenyl-3H-pyrrol-2-one has a molecular weight of 235.29 g/mol, XLogP of 3.46, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,4-diphenyl-3H-pyrrol-2-one is sourced from PubChem (CID 15752273), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).