1-(3-fluorophenyl)-2-hydroxy-4-methyl-2H-pyrrol-5-one

C11H10FNO2 — CID 118342009

IUPAC1-(3-fluorophenyl)-2-hydroxy-4-methyl-2H-pyrrol-5-one
SMILESCC1=CC(O)N(c2cccc(F)c2)C1=O
InChIInChI=1S/C11H10FNO2/c1-7-5-10(14)13(11(7)15)9-4-2-3-8(12)6-9/h2-6,10,14H,1H3
InChIKeyDNEXPSALSBACTM-UHFFFAOYSA-N
MW207.20 g/mol
LogP1.44
Rot. Bonds1

About 1-(3-fluorophenyl)-2-hydroxy-4-methyl-2H-pyrrol-5-one

1-(3-fluorophenyl)-2-hydroxy-4-methyl-2H-pyrrol-5-one (PubChem CID 118342009) has the molecular formula C11H10FNO2 and a molecular weight of 207.20 g/mol. Its IUPAC name is 1-(3-fluorophenyl)-2-hydroxy-4-methyl-2H-pyrrol-5-one.

Molecular Properties

Compound Name1-(3-fluorophenyl)-2-hydroxy-4-methyl-2H-pyrrol-5-one
PubChem CID118342009
Molecular FormulaC11H10FNO2
Molecular Weight207.20 g/mol
Exact Mass207.07
IUPAC Name1-(3-fluorophenyl)-2-hydroxy-4-methyl-2H-pyrrol-5-one
SMILESCC1=CC(O)N(c2cccc(F)c2)C1=O
InChIInChI=1S/C11H10FNO2/c1-7-5-10(14)13(11(7)15)9-4-2-3-8(12)6-9/h2-6,10,14H,1H3
InChIKeyDNEXPSALSBACTM-UHFFFAOYSA-N
XLogP1.44
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.20
LogP ≤ 51.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(3-fluorophenyl)-2-hydroxy-4-methyl-2H-pyrrol-5-one?
The IUPAC name of 1-(3-fluorophenyl)-2-hydroxy-4-methyl-2H-pyrrol-5-one (CID 118342009) is 1-(3-fluorophenyl)-2-hydroxy-4-methyl-2H-pyrrol-5-one.
What is the SMILES notation for 1-(3-fluorophenyl)-2-hydroxy-4-methyl-2H-pyrrol-5-one?
The canonical SMILES for 1-(3-fluorophenyl)-2-hydroxy-4-methyl-2H-pyrrol-5-one is CC1=CC(O)N(c2cccc(F)c2)C1=O.
What is the InChIKey of 1-(3-fluorophenyl)-2-hydroxy-4-methyl-2H-pyrrol-5-one?
The InChIKey is DNEXPSALSBACTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10FNO2/c1-7-5-10(14)13(11(7)15)9-4-2-3-8(12)6-9/h2-6,10,14H,1H3.
What are the key properties of 1-(3-fluorophenyl)-2-hydroxy-4-methyl-2H-pyrrol-5-one?
1-(3-fluorophenyl)-2-hydroxy-4-methyl-2H-pyrrol-5-one has a molecular weight of 207.20 g/mol, XLogP of 1.44, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-fluorophenyl)-2-hydroxy-4-methyl-2H-pyrrol-5-one is sourced from PubChem (CID 118342009), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).