3-(2-fluorophenyl)-5-methylidenepyrrol-2-one

C11H8FNO — CID 166745090

IUPAC3-(2-fluorophenyl)-5-methylidenepyrrol-2-one
SMILESC=C1C=C(c2ccccc2F)C(=O)N1
InChIInChI=1S/C11H8FNO/c1-7-6-9(11(14)13-7)8-4-2-3-5-10(8)12/h2-6H,1H2,(H,13,14)
InChIKeyXHXNFZPIOSXWLU-UHFFFAOYSA-N
MW189.19 g/mol
LogP1.85
Rot. Bonds1

About 3-(2-fluorophenyl)-5-methylidenepyrrol-2-one

3-(2-fluorophenyl)-5-methylidenepyrrol-2-one (PubChem CID 166745090) has the molecular formula C11H8FNO and a molecular weight of 189.19 g/mol. Its IUPAC name is 3-(2-fluorophenyl)-5-methylidenepyrrol-2-one.

Molecular Properties

Compound Name3-(2-fluorophenyl)-5-methylidenepyrrol-2-one
PubChem CID166745090
Molecular FormulaC11H8FNO
Molecular Weight189.19 g/mol
Exact Mass189.06
IUPAC Name3-(2-fluorophenyl)-5-methylidenepyrrol-2-one
SMILESC=C1C=C(c2ccccc2F)C(=O)N1
InChIInChI=1S/C11H8FNO/c1-7-6-9(11(14)13-7)8-4-2-3-5-10(8)12/h2-6H,1H2,(H,13,14)
InChIKeyXHXNFZPIOSXWLU-UHFFFAOYSA-N
XLogP1.85
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.19
LogP ≤ 51.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3-(2-fluorophenyl)-5-methylidenepyrrol-2-one?
The IUPAC name of 3-(2-fluorophenyl)-5-methylidenepyrrol-2-one (CID 166745090) is 3-(2-fluorophenyl)-5-methylidenepyrrol-2-one.
What is the SMILES notation for 3-(2-fluorophenyl)-5-methylidenepyrrol-2-one?
The canonical SMILES for 3-(2-fluorophenyl)-5-methylidenepyrrol-2-one is C=C1C=C(c2ccccc2F)C(=O)N1.
What is the InChIKey of 3-(2-fluorophenyl)-5-methylidenepyrrol-2-one?
The InChIKey is XHXNFZPIOSXWLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8FNO/c1-7-6-9(11(14)13-7)8-4-2-3-5-10(8)12/h2-6H,1H2,(H,13,14).
What are the key properties of 3-(2-fluorophenyl)-5-methylidenepyrrol-2-one?
3-(2-fluorophenyl)-5-methylidenepyrrol-2-one has a molecular weight of 189.19 g/mol, XLogP of 1.85, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-fluorophenyl)-5-methylidenepyrrol-2-one is sourced from PubChem (CID 166745090), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).