4-bromo-2-hydroxy-1-propan-2-yl-2H-pyrrol-5-one

C7H10BrNO2 — CID 163973220

IUPAC4-bromo-2-hydroxy-1-propan-2-yl-2H-pyrrol-5-one
SMILESCC(C)N1C(=O)C(Br)=CC1O
InChIInChI=1S/C7H10BrNO2/c1-4(2)9-6(10)3-5(8)7(9)11/h3-4,6,10H,1-2H3
InChIKeySRVJCDBAJADXKX-UHFFFAOYSA-N
MW220.07 g/mol
LogP0.83
Rot. Bonds1

About 4-bromo-2-hydroxy-1-propan-2-yl-2H-pyrrol-5-one

4-bromo-2-hydroxy-1-propan-2-yl-2H-pyrrol-5-one (PubChem CID 163973220) has the molecular formula C7H10BrNO2 and a molecular weight of 220.07 g/mol. Its IUPAC name is 4-bromo-2-hydroxy-1-propan-2-yl-2H-pyrrol-5-one.

Molecular Properties

Compound Name4-bromo-2-hydroxy-1-propan-2-yl-2H-pyrrol-5-one
PubChem CID163973220
Molecular FormulaC7H10BrNO2
Molecular Weight220.07 g/mol
Exact Mass218.99
IUPAC Name4-bromo-2-hydroxy-1-propan-2-yl-2H-pyrrol-5-one
SMILESCC(C)N1C(=O)C(Br)=CC1O
InChIInChI=1S/C7H10BrNO2/c1-4(2)9-6(10)3-5(8)7(9)11/h3-4,6,10H,1-2H3
InChIKeySRVJCDBAJADXKX-UHFFFAOYSA-N
XLogP0.83
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.07
LogP ≤ 50.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

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2-hydroxy-1-methyl-4-propan-2-yl-2H-pyrrol-5-one
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bromo-[4,5-dimethyl-1,3-di(propan-2-yl)-2H-imidazol-2-yl]iodanium
CID 101271398
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CID 10536867
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CID 170239987
4,5,6,7-tetrabromo-2-[1-(4,5,6,7-tetrabromo-1,3-dioxoisoindol-2-yl)ethyl]isoindole-1,3-dione
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Frequently Asked Questions

What is the IUPAC name of 4-bromo-2-hydroxy-1-propan-2-yl-2H-pyrrol-5-one?
The IUPAC name of 4-bromo-2-hydroxy-1-propan-2-yl-2H-pyrrol-5-one (CID 163973220) is 4-bromo-2-hydroxy-1-propan-2-yl-2H-pyrrol-5-one.
What is the SMILES notation for 4-bromo-2-hydroxy-1-propan-2-yl-2H-pyrrol-5-one?
The canonical SMILES for 4-bromo-2-hydroxy-1-propan-2-yl-2H-pyrrol-5-one is CC(C)N1C(=O)C(Br)=CC1O.
What is the InChIKey of 4-bromo-2-hydroxy-1-propan-2-yl-2H-pyrrol-5-one?
The InChIKey is SRVJCDBAJADXKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10BrNO2/c1-4(2)9-6(10)3-5(8)7(9)11/h3-4,6,10H,1-2H3.
What are the key properties of 4-bromo-2-hydroxy-1-propan-2-yl-2H-pyrrol-5-one?
4-bromo-2-hydroxy-1-propan-2-yl-2H-pyrrol-5-one has a molecular weight of 220.07 g/mol, XLogP of 0.83, 1 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-propan-2-yl-2H-pyrrol-5-one is sourced from PubChem (CID 163973220), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).