4'-amino-1'-ethyl-7-fluorospiro[1,2-dihydroindene-3,5'-imidazole]-2'-one

C13H14FN3O — CID 83069366

IUPAC4'-amino-1'-ethyl-7-fluorospiro[1,2-dihydroindene-3,5'-imidazole]-2'-one
SMILESCCN1C(=O)N=C(N)C12CCc1c(F)cccc12
InChIInChI=1S/C13H14FN3O/c1-2-17-12(18)16-11(15)13(17)7-6-8-9(13)4-3-5-10(8)14/h3-5H,2,6-7H2,1H3,(H2,15,16,18)
InChIKeyZATSOXSTUVXGRO-UHFFFAOYSA-N
MW247.27 g/mol
LogP1.78
Rot. Bonds1

About 4'-amino-1'-ethyl-7-fluorospiro[1,2-dihydroindene-3,5'-imidazole]-2'-one

4'-amino-1'-ethyl-7-fluorospiro[1,2-dihydroindene-3,5'-imidazole]-2'-one (PubChem CID 83069366) has the molecular formula C13H14FN3O and a molecular weight of 247.27 g/mol. Its IUPAC name is 4'-amino-1'-ethyl-7-fluorospiro[1,2-dihydroindene-3,5'-imidazole]-2'-one.

Molecular Properties

Compound Name4'-amino-1'-ethyl-7-fluorospiro[1,2-dihydroindene-3,5'-imidazole]-2'-one
PubChem CID83069366
Molecular FormulaC13H14FN3O
Molecular Weight247.27 g/mol
Exact Mass247.11
IUPAC Name4'-amino-1'-ethyl-7-fluorospiro[1,2-dihydroindene-3,5'-imidazole]-2'-one
SMILESCCN1C(=O)N=C(N)C12CCc1c(F)cccc12
InChIInChI=1S/C13H14FN3O/c1-2-17-12(18)16-11(15)13(17)7-6-8-9(13)4-3-5-10(8)14/h3-5H,2,6-7H2,1H3,(H2,15,16,18)
InChIKeyZATSOXSTUVXGRO-UHFFFAOYSA-N
XLogP1.78
TPSA58.69 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.27
LogP ≤ 51.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4'-amino-1'-ethyl-7-fluorospiro[1,2-dihydroindene-3,5'-imidazole]-2'-one?
The IUPAC name of 4'-amino-1'-ethyl-7-fluorospiro[1,2-dihydroindene-3,5'-imidazole]-2'-one (CID 83069366) is 4'-amino-1'-ethyl-7-fluorospiro[1,2-dihydroindene-3,5'-imidazole]-2'-one.
What is the SMILES notation for 4'-amino-1'-ethyl-7-fluorospiro[1,2-dihydroindene-3,5'-imidazole]-2'-one?
The canonical SMILES for 4'-amino-1'-ethyl-7-fluorospiro[1,2-dihydroindene-3,5'-imidazole]-2'-one is CCN1C(=O)N=C(N)C12CCc1c(F)cccc12.
What is the InChIKey of 4'-amino-1'-ethyl-7-fluorospiro[1,2-dihydroindene-3,5'-imidazole]-2'-one?
The InChIKey is ZATSOXSTUVXGRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14FN3O/c1-2-17-12(18)16-11(15)13(17)7-6-8-9(13)4-3-5-10(8)14/h3-5H,2,6-7H2,1H3,(H2,15,16,18).
What are the key properties of 4'-amino-1'-ethyl-7-fluorospiro[1,2-dihydroindene-3,5'-imidazole]-2'-one?
4'-amino-1'-ethyl-7-fluorospiro[1,2-dihydroindene-3,5'-imidazole]-2'-one has a molecular weight of 247.27 g/mol, XLogP of 1.78, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4'-amino-1'-ethyl-7-fluorospiro[1,2-dihydroindene-3,5'-imidazole]-2'-one is sourced from PubChem (CID 83069366), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).