1-benzyl-4-bromo-5-(dibromomethylidene)pyrrol-2-one

C12H8Br3NO — CID 122194270

IUPAC1-benzyl-4-bromo-5-(dibromomethylidene)pyrrol-2-one
SMILESO=C1C=C(Br)C(=C(Br)Br)N1Cc1ccccc1
InChIInChI=1S/C12H8Br3NO/c13-9-6-10(17)16(11(9)12(14)15)7-8-4-2-1-3-5-8/h1-6H,7H2
InChIKeyZUSWCOKUWOEGHN-UHFFFAOYSA-N
MW421.91 g/mol
LogP4.27
Rot. Bonds2

About 1-benzyl-4-bromo-5-(dibromomethylidene)pyrrol-2-one

1-benzyl-4-bromo-5-(dibromomethylidene)pyrrol-2-one (PubChem CID 122194270) has the molecular formula C12H8Br3NO and a molecular weight of 421.91 g/mol. Its IUPAC name is 1-benzyl-4-bromo-5-(dibromomethylidene)pyrrol-2-one.

Molecular Properties

Compound Name1-benzyl-4-bromo-5-(dibromomethylidene)pyrrol-2-one
PubChem CID122194270
Molecular FormulaC12H8Br3NO
Molecular Weight421.91 g/mol
Exact Mass418.82
IUPAC Name1-benzyl-4-bromo-5-(dibromomethylidene)pyrrol-2-one
SMILESO=C1C=C(Br)C(=C(Br)Br)N1Cc1ccccc1
InChIInChI=1S/C12H8Br3NO/c13-9-6-10(17)16(11(9)12(14)15)7-8-4-2-1-3-5-8/h1-6H,7H2
InChIKeyZUSWCOKUWOEGHN-UHFFFAOYSA-N
XLogP4.27
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500421.91
LogP ≤ 54.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

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CID 74204
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CID 15628904
1-benzyl-3-methyl-2,5-dihydro-1H-pyrrole-2,5-dione
CID 11435603
N-benzyl-2-bromo-N-methylacetamide
CID 150681
(R)-(+)-N-(1-Phenylethyl)maleimide
CID 671213
N-Benzyl-2,3-dibromomaleimide
CID 3457221
N-benzyl-N-methylacetamide
CID 4578210
(S)-(-)-N-(1-Phenylethyl)maleimide
CID 6540921
1-Methyl-6-phenylpyridin-2-one
CID 739288
1-benzyl-3,4-dimethyl-1H-pyrrole-2,5-dione
CID 10536627
N-methyl-N-(1-phenylethenyl)acetamide
CID 12527663

Frequently Asked Questions

What is the IUPAC name of 1-benzyl-4-bromo-5-(dibromomethylidene)pyrrol-2-one?
The IUPAC name of 1-benzyl-4-bromo-5-(dibromomethylidene)pyrrol-2-one (CID 122194270) is 1-benzyl-4-bromo-5-(dibromomethylidene)pyrrol-2-one.
What is the SMILES notation for 1-benzyl-4-bromo-5-(dibromomethylidene)pyrrol-2-one?
The canonical SMILES for 1-benzyl-4-bromo-5-(dibromomethylidene)pyrrol-2-one is O=C1C=C(Br)C(=C(Br)Br)N1Cc1ccccc1.
What is the InChIKey of 1-benzyl-4-bromo-5-(dibromomethylidene)pyrrol-2-one?
The InChIKey is ZUSWCOKUWOEGHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8Br3NO/c13-9-6-10(17)16(11(9)12(14)15)7-8-4-2-1-3-5-8/h1-6H,7H2.
What are the key properties of 1-benzyl-4-bromo-5-(dibromomethylidene)pyrrol-2-one?
1-benzyl-4-bromo-5-(dibromomethylidene)pyrrol-2-one has a molecular weight of 421.91 g/mol, XLogP of 4.27, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-4-bromo-5-(dibromomethylidene)pyrrol-2-one is sourced from PubChem (CID 122194270), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).