N-[1-(7-fluoroindolizin-1-yl)-1-oxopropan-2-yl]acetamide

C13H13FN2O2 — CID 169202947

IUPACN-[1-(7-fluoroindolizin-1-yl)-1-oxopropan-2-yl]acetamide
SMILESCC(=O)NC(C)C(=O)c1ccn2ccc(F)cc12
InChIInChI=1S/C13H13FN2O2/c1-8(15-9(2)17)13(18)11-4-6-16-5-3-10(14)7-12(11)16/h3-8H,1-2H3,(H,15,17)
InChIKeyJBDRZZAARZKZNF-UHFFFAOYSA-N
MW248.26 g/mol
LogP1.79
Rot. Bonds3

About N-[1-(7-fluoroindolizin-1-yl)-1-oxopropan-2-yl]acetamide

N-[1-(7-fluoroindolizin-1-yl)-1-oxopropan-2-yl]acetamide (PubChem CID 169202947) has the molecular formula C13H13FN2O2 and a molecular weight of 248.26 g/mol. Its IUPAC name is N-[1-(7-fluoroindolizin-1-yl)-1-oxopropan-2-yl]acetamide.

Molecular Properties

Compound NameN-[1-(7-fluoroindolizin-1-yl)-1-oxopropan-2-yl]acetamide
PubChem CID169202947
Molecular FormulaC13H13FN2O2
Molecular Weight248.26 g/mol
Exact Mass248.10
IUPAC NameN-[1-(7-fluoroindolizin-1-yl)-1-oxopropan-2-yl]acetamide
SMILESCC(=O)NC(C)C(=O)c1ccn2ccc(F)cc12
InChIInChI=1S/C13H13FN2O2/c1-8(15-9(2)17)13(18)11-4-6-16-5-3-10(14)7-12(11)16/h3-8H,1-2H3,(H,15,17)
InChIKeyJBDRZZAARZKZNF-UHFFFAOYSA-N
XLogP1.79
TPSA50.58 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.26
LogP ≤ 51.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[1-(7-fluoroindolizin-1-yl)-1-oxopropan-2-yl]acetamide?
The IUPAC name of N-[1-(7-fluoroindolizin-1-yl)-1-oxopropan-2-yl]acetamide (CID 169202947) is N-[1-(7-fluoroindolizin-1-yl)-1-oxopropan-2-yl]acetamide.
What is the SMILES notation for N-[1-(7-fluoroindolizin-1-yl)-1-oxopropan-2-yl]acetamide?
The canonical SMILES for N-[1-(7-fluoroindolizin-1-yl)-1-oxopropan-2-yl]acetamide is CC(=O)NC(C)C(=O)c1ccn2ccc(F)cc12.
What is the InChIKey of N-[1-(7-fluoroindolizin-1-yl)-1-oxopropan-2-yl]acetamide?
The InChIKey is JBDRZZAARZKZNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13FN2O2/c1-8(15-9(2)17)13(18)11-4-6-16-5-3-10(14)7-12(11)16/h3-8H,1-2H3,(H,15,17).
What are the key properties of N-[1-(7-fluoroindolizin-1-yl)-1-oxopropan-2-yl]acetamide?
N-[1-(7-fluoroindolizin-1-yl)-1-oxopropan-2-yl]acetamide has a molecular weight of 248.26 g/mol, XLogP of 1.79, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(7-fluoroindolizin-1-yl)-1-oxopropan-2-yl]acetamide is sourced from PubChem (CID 169202947), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).