4'-amino-7-fluoro-1'-prop-2-enylspiro[1,2-dihydroindene-3,5'-imidazole]-2'-one

C14H14FN3O — CID 83069599

IUPAC4'-amino-7-fluoro-1'-prop-2-enylspiro[1,2-dihydroindene-3,5'-imidazole]-2'-one
SMILESC=CCN1C(=O)N=C(N)C12CCc1c(F)cccc12
InChIInChI=1S/C14H14FN3O/c1-2-8-18-13(19)17-12(16)14(18)7-6-9-10(14)4-3-5-11(9)15/h2-5H,1,6-8H2,(H2,16,17,19)
InChIKeyOCMLBOUJVOESCL-UHFFFAOYSA-N
MW259.28 g/mol
LogP1.95
Rot. Bonds2

About 4'-amino-7-fluoro-1'-prop-2-enylspiro[1,2-dihydroindene-3,5'-imidazole]-2'-one

4'-amino-7-fluoro-1'-prop-2-enylspiro[1,2-dihydroindene-3,5'-imidazole]-2'-one (PubChem CID 83069599) has the molecular formula C14H14FN3O and a molecular weight of 259.28 g/mol. Its IUPAC name is 4'-amino-7-fluoro-1'-prop-2-enylspiro[1,2-dihydroindene-3,5'-imidazole]-2'-one.

Molecular Properties

Compound Name4'-amino-7-fluoro-1'-prop-2-enylspiro[1,2-dihydroindene-3,5'-imidazole]-2'-one
PubChem CID83069599
Molecular FormulaC14H14FN3O
Molecular Weight259.28 g/mol
Exact Mass259.11
IUPAC Name4'-amino-7-fluoro-1'-prop-2-enylspiro[1,2-dihydroindene-3,5'-imidazole]-2'-one
SMILESC=CCN1C(=O)N=C(N)C12CCc1c(F)cccc12
InChIInChI=1S/C14H14FN3O/c1-2-8-18-13(19)17-12(16)14(18)7-6-9-10(14)4-3-5-11(9)15/h2-5H,1,6-8H2,(H2,16,17,19)
InChIKeyOCMLBOUJVOESCL-UHFFFAOYSA-N
XLogP1.95
TPSA58.69 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.28
LogP ≤ 51.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4'-amino-7-fluoro-1'-prop-2-enylspiro[1,2-dihydroindene-3,5'-imidazole]-2'-one?
The IUPAC name of 4'-amino-7-fluoro-1'-prop-2-enylspiro[1,2-dihydroindene-3,5'-imidazole]-2'-one (CID 83069599) is 4'-amino-7-fluoro-1'-prop-2-enylspiro[1,2-dihydroindene-3,5'-imidazole]-2'-one.
What is the SMILES notation for 4'-amino-7-fluoro-1'-prop-2-enylspiro[1,2-dihydroindene-3,5'-imidazole]-2'-one?
The canonical SMILES for 4'-amino-7-fluoro-1'-prop-2-enylspiro[1,2-dihydroindene-3,5'-imidazole]-2'-one is C=CCN1C(=O)N=C(N)C12CCc1c(F)cccc12.
What is the InChIKey of 4'-amino-7-fluoro-1'-prop-2-enylspiro[1,2-dihydroindene-3,5'-imidazole]-2'-one?
The InChIKey is OCMLBOUJVOESCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14FN3O/c1-2-8-18-13(19)17-12(16)14(18)7-6-9-10(14)4-3-5-11(9)15/h2-5H,1,6-8H2,(H2,16,17,19).
What are the key properties of 4'-amino-7-fluoro-1'-prop-2-enylspiro[1,2-dihydroindene-3,5'-imidazole]-2'-one?
4'-amino-7-fluoro-1'-prop-2-enylspiro[1,2-dihydroindene-3,5'-imidazole]-2'-one has a molecular weight of 259.28 g/mol, XLogP of 1.95, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4'-amino-7-fluoro-1'-prop-2-enylspiro[1,2-dihydroindene-3,5'-imidazole]-2'-one is sourced from PubChem (CID 83069599), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).