5-acetyl-1-cyclopropyl-3-fluoropyridin-2-one

C10H10FNO2 — CID 167221008

IUPAC5-acetyl-1-cyclopropyl-3-fluoropyridin-2-one
SMILESCC(=O)c1cc(F)c(=O)n(C2CC2)c1
InChIInChI=1S/C10H10FNO2/c1-6(13)7-4-9(11)10(14)12(5-7)8-2-3-8/h4-5,8H,2-3H2,1H3
InChIKeyNDKURBRIISFPIB-UHFFFAOYSA-N
MW195.19 g/mol
LogP1.52
Rot. Bonds2

About 5-acetyl-1-cyclopropyl-3-fluoropyridin-2-one

5-acetyl-1-cyclopropyl-3-fluoropyridin-2-one (PubChem CID 167221008) has the molecular formula C10H10FNO2 and a molecular weight of 195.19 g/mol. Its IUPAC name is 5-acetyl-1-cyclopropyl-3-fluoropyridin-2-one.

Molecular Properties

Compound Name5-acetyl-1-cyclopropyl-3-fluoropyridin-2-one
PubChem CID167221008
Molecular FormulaC10H10FNO2
Molecular Weight195.19 g/mol
Exact Mass195.07
IUPAC Name5-acetyl-1-cyclopropyl-3-fluoropyridin-2-one
SMILESCC(=O)c1cc(F)c(=O)n(C2CC2)c1
InChIInChI=1S/C10H10FNO2/c1-6(13)7-4-9(11)10(14)12(5-7)8-2-3-8/h4-5,8H,2-3H2,1H3
InChIKeyNDKURBRIISFPIB-UHFFFAOYSA-N
XLogP1.52
TPSA39.07 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.19
LogP ≤ 51.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-acetyl-1-cyclopropyl-3-fluoropyridin-2-one?
The IUPAC name of 5-acetyl-1-cyclopropyl-3-fluoropyridin-2-one (CID 167221008) is 5-acetyl-1-cyclopropyl-3-fluoropyridin-2-one.
What is the SMILES notation for 5-acetyl-1-cyclopropyl-3-fluoropyridin-2-one?
The canonical SMILES for 5-acetyl-1-cyclopropyl-3-fluoropyridin-2-one is CC(=O)c1cc(F)c(=O)n(C2CC2)c1.
What is the InChIKey of 5-acetyl-1-cyclopropyl-3-fluoropyridin-2-one?
The InChIKey is NDKURBRIISFPIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10FNO2/c1-6(13)7-4-9(11)10(14)12(5-7)8-2-3-8/h4-5,8H,2-3H2,1H3.
What are the key properties of 5-acetyl-1-cyclopropyl-3-fluoropyridin-2-one?
5-acetyl-1-cyclopropyl-3-fluoropyridin-2-one has a molecular weight of 195.19 g/mol, XLogP of 1.52, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-acetyl-1-cyclopropyl-3-fluoropyridin-2-one is sourced from PubChem (CID 167221008), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).