4-(4-bromophenyl)-3-methyl-5-methylidenepyrrol-2-one

C12H10BrNO — CID 155511935

IUPAC4-(4-bromophenyl)-3-methyl-5-methylidenepyrrol-2-one
SMILESC=C1NC(=O)C(C)=C1c1ccc(Br)cc1
InChIInChI=1S/C12H10BrNO/c1-7-11(8(2)14-12(7)15)9-3-5-10(13)6-4-9/h3-6H,2H2,1H3,(H,14,15)
InChIKeyZCSPEFIMYVKECP-UHFFFAOYSA-N
MW264.12 g/mol
LogP2.87
Rot. Bonds1

About 4-(4-bromophenyl)-3-methyl-5-methylidenepyrrol-2-one

4-(4-bromophenyl)-3-methyl-5-methylidenepyrrol-2-one (PubChem CID 155511935) has the molecular formula C12H10BrNO and a molecular weight of 264.12 g/mol. Its IUPAC name is 4-(4-bromophenyl)-3-methyl-5-methylidenepyrrol-2-one.

Molecular Properties

Compound Name4-(4-bromophenyl)-3-methyl-5-methylidenepyrrol-2-one
PubChem CID155511935
Molecular FormulaC12H10BrNO
Molecular Weight264.12 g/mol
Exact Mass262.99
IUPAC Name4-(4-bromophenyl)-3-methyl-5-methylidenepyrrol-2-one
SMILESC=C1NC(=O)C(C)=C1c1ccc(Br)cc1
InChIInChI=1S/C12H10BrNO/c1-7-11(8(2)14-12(7)15)9-3-5-10(13)6-4-9/h3-6H,2H2,1H3,(H,14,15)
InChIKeyZCSPEFIMYVKECP-UHFFFAOYSA-N
XLogP2.87
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.12
LogP ≤ 52.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 4-(4-bromophenyl)-3-methyl-5-methylidenepyrrol-2-one?
The IUPAC name of 4-(4-bromophenyl)-3-methyl-5-methylidenepyrrol-2-one (CID 155511935) is 4-(4-bromophenyl)-3-methyl-5-methylidenepyrrol-2-one.
What is the SMILES notation for 4-(4-bromophenyl)-3-methyl-5-methylidenepyrrol-2-one?
The canonical SMILES for 4-(4-bromophenyl)-3-methyl-5-methylidenepyrrol-2-one is C=C1NC(=O)C(C)=C1c1ccc(Br)cc1.
What is the InChIKey of 4-(4-bromophenyl)-3-methyl-5-methylidenepyrrol-2-one?
The InChIKey is ZCSPEFIMYVKECP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10BrNO/c1-7-11(8(2)14-12(7)15)9-3-5-10(13)6-4-9/h3-6H,2H2,1H3,(H,14,15).
What are the key properties of 4-(4-bromophenyl)-3-methyl-5-methylidenepyrrol-2-one?
4-(4-bromophenyl)-3-methyl-5-methylidenepyrrol-2-one has a molecular weight of 264.12 g/mol, XLogP of 2.87, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-bromophenyl)-3-methyl-5-methylidenepyrrol-2-one is sourced from PubChem (CID 155511935), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).