7-fluoro-4'-imino-1'-(2-methylpropyl)spiro[1,2-dihydroindene-3,5'-imidazolidine]-2'-one

C15H18FN3O — CID 138391458

IUPAC7-fluoro-4'-imino-1'-(2-methylpropyl)spiro[1,2-dihydroindene-3,5'-imidazolidine]-2'-one
SMILES[H]/N=C1\NC(=O)N(CC(C)C)C12CCc1c(F)cccc12
InChIInChI=1S/C15H18FN3O/c1-9(2)8-19-14(20)18-13(17)15(19)7-6-10-11(15)4-3-5-12(10)16/h3-5,9H,6-8H2,1-2H3,(H2,17,18,20)
InChIKeyJEUDAYVPMBQTCA-UHFFFAOYSA-N
MW275.33 g/mol
LogP2.63
Rot. Bonds2

About 7-fluoro-4'-imino-1'-(2-methylpropyl)spiro[1,2-dihydroindene-3,5'-imidazolidine]-2'-one

7-fluoro-4'-imino-1'-(2-methylpropyl)spiro[1,2-dihydroindene-3,5'-imidazolidine]-2'-one (PubChem CID 138391458) has the molecular formula C15H18FN3O and a molecular weight of 275.33 g/mol. Its IUPAC name is 7-fluoro-4'-imino-1'-(2-methylpropyl)spiro[1,2-dihydroindene-3,5'-imidazolidine]-2'-one.

Molecular Properties

Compound Name7-fluoro-4'-imino-1'-(2-methylpropyl)spiro[1,2-dihydroindene-3,5'-imidazolidine]-2'-one
PubChem CID138391458
Molecular FormulaC15H18FN3O
Molecular Weight275.33 g/mol
Exact Mass275.14
IUPAC Name7-fluoro-4'-imino-1'-(2-methylpropyl)spiro[1,2-dihydroindene-3,5'-imidazolidine]-2'-one
SMILES[H]/N=C1\NC(=O)N(CC(C)C)C12CCc1c(F)cccc12
InChIInChI=1S/C15H18FN3O/c1-9(2)8-19-14(20)18-13(17)15(19)7-6-10-11(15)4-3-5-12(10)16/h3-5,9H,6-8H2,1-2H3,(H2,17,18,20)
InChIKeyJEUDAYVPMBQTCA-UHFFFAOYSA-N
XLogP2.63
TPSA56.19 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.33
LogP ≤ 52.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

7-fluoro-4'-imino-1'-(2-methoxyethyl)spiro[1,2-dihydroindene-3,5'-imidazolidine]-2'-one
CID 138391461
4'-imino-1'-(2-methylpropyl)spiro[2,3-dihydro-1H-naphthalene-4,5'-imidazolidine]-2'-one
CID 138389334
4-imino-1-(2-methylpropyl)-8,8-dioxo-8λ6-thia-1,3-diazaspiro[4.5]decan-2-one
CID 138389423
4-imino-1-(2-methylpropyl)-1,3,8-triazaspiro[4.5]decan-2-one
CID 138388776
4-imino-7-methyl-1-(2-methylpropyl)-1,3,7-triazaspiro[4.4]nonan-2-one
CID 138389607
4'-imino-1'-propylspiro[6,7,8,9-tetrahydrobenzo[7]annulene-5,5'-imidazolidine]-2'-one
CID 138389056
4'-imino-1'-methylspiro[1,2-dihydroindene-3,5'-imidazolidine]-2'-one
CID 138388524
5-ethyl-4-imino-5-methyl-1-(2-methylpropyl)imidazolidin-2-one
CID 138388406
4'-imino-1'-propan-2-ylspiro[2,3-dihydro-1H-naphthalene-4,5'-imidazolidine]-2'-one
CID 138389883
6-bromo-4'-imino-1'-propylspiro[1,2-dihydroindene-3,5'-imidazolidine]-2'-one
CID 138391298
5-butan-2-yl-4-imino-5-methyl-1-(2-methylpropyl)imidazolidin-2-one
CID 138388328
4'-imino-1'-(2-methoxyethyl)spiro[2,3-dihydrochromene-4,5'-imidazolidine]-2'-one
CID 138390077

Frequently Asked Questions

What is the IUPAC name of 7-fluoro-4'-imino-1'-(2-methylpropyl)spiro[1,2-dihydroindene-3,5'-imidazolidine]-2'-one?
The IUPAC name of 7-fluoro-4'-imino-1'-(2-methylpropyl)spiro[1,2-dihydroindene-3,5'-imidazolidine]-2'-one (CID 138391458) is 7-fluoro-4'-imino-1'-(2-methylpropyl)spiro[1,2-dihydroindene-3,5'-imidazolidine]-2'-one.
What is the SMILES notation for 7-fluoro-4'-imino-1'-(2-methylpropyl)spiro[1,2-dihydroindene-3,5'-imidazolidine]-2'-one?
The canonical SMILES for 7-fluoro-4'-imino-1'-(2-methylpropyl)spiro[1,2-dihydroindene-3,5'-imidazolidine]-2'-one is [H]/N=C1\NC(=O)N(CC(C)C)C12CCc1c(F)cccc12.
What is the InChIKey of 7-fluoro-4'-imino-1'-(2-methylpropyl)spiro[1,2-dihydroindene-3,5'-imidazolidine]-2'-one?
The InChIKey is JEUDAYVPMBQTCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18FN3O/c1-9(2)8-19-14(20)18-13(17)15(19)7-6-10-11(15)4-3-5-12(10)16/h3-5,9H,6-8H2,1-2H3,(H2,17,18,20).
What are the key properties of 7-fluoro-4'-imino-1'-(2-methylpropyl)spiro[1,2-dihydroindene-3,5'-imidazolidine]-2'-one?
7-fluoro-4'-imino-1'-(2-methylpropyl)spiro[1,2-dihydroindene-3,5'-imidazolidine]-2'-one has a molecular weight of 275.33 g/mol, XLogP of 2.63, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-fluoro-4'-imino-1'-(2-methylpropyl)spiro[1,2-dihydroindene-3,5'-imidazolidine]-2'-one is sourced from PubChem (CID 138391458), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).