4-(4-bromophenyl)-5-methylidenepyrrol-2-one

C11H8BrNO — CID 24782361

IUPAC4-(4-bromophenyl)-5-methylidenepyrrol-2-one
SMILESC=C1NC(=O)C=C1c1ccc(Br)cc1
InChIInChI=1S/C11H8BrNO/c1-7-10(6-11(14)13-7)8-2-4-9(12)5-3-8/h2-6H,1H2,(H,13,14)
InChIKeyDJXUWPZKWAWSRO-UHFFFAOYSA-N
MW250.09 g/mol
LogP2.48
Rot. Bonds1

About 4-(4-bromophenyl)-5-methylidenepyrrol-2-one

4-(4-bromophenyl)-5-methylidenepyrrol-2-one (PubChem CID 24782361) has the molecular formula C11H8BrNO and a molecular weight of 250.09 g/mol. Its IUPAC name is 4-(4-bromophenyl)-5-methylidenepyrrol-2-one.

Molecular Properties

Compound Name4-(4-bromophenyl)-5-methylidenepyrrol-2-one
PubChem CID24782361
Molecular FormulaC11H8BrNO
Molecular Weight250.09 g/mol
Exact Mass248.98
IUPAC Name4-(4-bromophenyl)-5-methylidenepyrrol-2-one
SMILESC=C1NC(=O)C=C1c1ccc(Br)cc1
InChIInChI=1S/C11H8BrNO/c1-7-10(6-11(14)13-7)8-2-4-9(12)5-3-8/h2-6H,1H2,(H,13,14)
InChIKeyDJXUWPZKWAWSRO-UHFFFAOYSA-N
XLogP2.48
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.09
LogP ≤ 52.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 4-(4-bromophenyl)-5-methylidenepyrrol-2-one?
The IUPAC name of 4-(4-bromophenyl)-5-methylidenepyrrol-2-one (CID 24782361) is 4-(4-bromophenyl)-5-methylidenepyrrol-2-one.
What is the SMILES notation for 4-(4-bromophenyl)-5-methylidenepyrrol-2-one?
The canonical SMILES for 4-(4-bromophenyl)-5-methylidenepyrrol-2-one is C=C1NC(=O)C=C1c1ccc(Br)cc1.
What is the InChIKey of 4-(4-bromophenyl)-5-methylidenepyrrol-2-one?
The InChIKey is DJXUWPZKWAWSRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8BrNO/c1-7-10(6-11(14)13-7)8-2-4-9(12)5-3-8/h2-6H,1H2,(H,13,14).
What are the key properties of 4-(4-bromophenyl)-5-methylidenepyrrol-2-one?
4-(4-bromophenyl)-5-methylidenepyrrol-2-one has a molecular weight of 250.09 g/mol, XLogP of 2.48, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-bromophenyl)-5-methylidenepyrrol-2-one is sourced from PubChem (CID 24782361), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).