3-amino-6-(4-fluorophenyl)-4-propylpyran-2-one

C14H14FNO2 — CID 51037090

IUPAC3-amino-6-(4-fluorophenyl)-4-propylpyran-2-one
SMILESCCCc1cc(-c2ccc(F)cc2)oc(=O)c1N
InChIInChI=1S/C14H14FNO2/c1-2-3-10-8-12(18-14(17)13(10)16)9-4-6-11(15)7-5-9/h4-8H,2-3,16H2,1H3
InChIKeyYSYVANKHNYHTDW-UHFFFAOYSA-N
MW247.27 g/mol
LogP2.98
Rot. Bonds3

About 3-amino-6-(4-fluorophenyl)-4-propylpyran-2-one

3-amino-6-(4-fluorophenyl)-4-propylpyran-2-one (PubChem CID 51037090) has the molecular formula C14H14FNO2 and a molecular weight of 247.27 g/mol. Its IUPAC name is 3-amino-6-(4-fluorophenyl)-4-propylpyran-2-one.

Molecular Properties

Compound Name3-amino-6-(4-fluorophenyl)-4-propylpyran-2-one
PubChem CID51037090
Molecular FormulaC14H14FNO2
Molecular Weight247.27 g/mol
Exact Mass247.10
IUPAC Name3-amino-6-(4-fluorophenyl)-4-propylpyran-2-one
SMILESCCCc1cc(-c2ccc(F)cc2)oc(=O)c1N
InChIInChI=1S/C14H14FNO2/c1-2-3-10-8-12(18-14(17)13(10)16)9-4-6-11(15)7-5-9/h4-8H,2-3,16H2,1H3
InChIKeyYSYVANKHNYHTDW-UHFFFAOYSA-N
XLogP2.98
TPSA56.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.27
LogP ≤ 52.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-amino-6-(4-fluorophenyl)-4-propylpyran-2-one?
The IUPAC name of 3-amino-6-(4-fluorophenyl)-4-propylpyran-2-one (CID 51037090) is 3-amino-6-(4-fluorophenyl)-4-propylpyran-2-one.
What is the SMILES notation for 3-amino-6-(4-fluorophenyl)-4-propylpyran-2-one?
The canonical SMILES for 3-amino-6-(4-fluorophenyl)-4-propylpyran-2-one is CCCc1cc(-c2ccc(F)cc2)oc(=O)c1N.
What is the InChIKey of 3-amino-6-(4-fluorophenyl)-4-propylpyran-2-one?
The InChIKey is YSYVANKHNYHTDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14FNO2/c1-2-3-10-8-12(18-14(17)13(10)16)9-4-6-11(15)7-5-9/h4-8H,2-3,16H2,1H3.
What are the key properties of 3-amino-6-(4-fluorophenyl)-4-propylpyran-2-one?
3-amino-6-(4-fluorophenyl)-4-propylpyran-2-one has a molecular weight of 247.27 g/mol, XLogP of 2.98, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-6-(4-fluorophenyl)-4-propylpyran-2-one is sourced from PubChem (CID 51037090), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).