4-bromo-2-hydroxy-1-methyl-2H-pyrrol-5-one

C5H6BrNO2 — CID 118342055

IUPAC4-bromo-2-hydroxy-1-methyl-2H-pyrrol-5-one
SMILESCN1C(=O)C(Br)=CC1O
InChIInChI=1S/C5H6BrNO2/c1-7-4(8)2-3(6)5(7)9/h2,4,8H,1H3
InChIKeyHFBCGQPJHWAFEO-UHFFFAOYSA-N
MW192.01 g/mol
LogP0.06
Rot. Bonds

About 4-bromo-2-hydroxy-1-methyl-2H-pyrrol-5-one

4-bromo-2-hydroxy-1-methyl-2H-pyrrol-5-one (PubChem CID 118342055) has the molecular formula C5H6BrNO2 and a molecular weight of 192.01 g/mol. Its IUPAC name is 4-bromo-2-hydroxy-1-methyl-2H-pyrrol-5-one.

Molecular Properties

Compound Name4-bromo-2-hydroxy-1-methyl-2H-pyrrol-5-one
PubChem CID118342055
Molecular FormulaC5H6BrNO2
Molecular Weight192.01 g/mol
Exact Mass190.96
IUPAC Name4-bromo-2-hydroxy-1-methyl-2H-pyrrol-5-one
SMILESCN1C(=O)C(Br)=CC1O
InChIInChI=1S/C5H6BrNO2/c1-7-4(8)2-3(6)5(7)9/h2,4,8H,1H3
InChIKeyHFBCGQPJHWAFEO-UHFFFAOYSA-N
XLogP0.06
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.01
LogP ≤ 50.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-bromo-2-hydroxy-1-methyl-2H-pyrrol-5-one?
The IUPAC name of 4-bromo-2-hydroxy-1-methyl-2H-pyrrol-5-one (CID 118342055) is 4-bromo-2-hydroxy-1-methyl-2H-pyrrol-5-one.
What is the SMILES notation for 4-bromo-2-hydroxy-1-methyl-2H-pyrrol-5-one?
The canonical SMILES for 4-bromo-2-hydroxy-1-methyl-2H-pyrrol-5-one is CN1C(=O)C(Br)=CC1O.
What is the InChIKey of 4-bromo-2-hydroxy-1-methyl-2H-pyrrol-5-one?
The InChIKey is HFBCGQPJHWAFEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H6BrNO2/c1-7-4(8)2-3(6)5(7)9/h2,4,8H,1H3.
What are the key properties of 4-bromo-2-hydroxy-1-methyl-2H-pyrrol-5-one?
4-bromo-2-hydroxy-1-methyl-2H-pyrrol-5-one has a molecular weight of 192.01 g/mol, XLogP of 0.06, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-2-hydroxy-1-methyl-2H-pyrrol-5-one is sourced from PubChem (CID 118342055), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).