2'-ethylimino-6-fluoro-2,2-dimethylspiro[3H-chromene-4,5'-imidazolidine]-4'-one

C15H18FN3O2 — CID 135400961

IUPAC2'-ethylimino-6-fluoro-2,2-dimethylspiro[3H-chromene-4,5'-imidazolidine]-4'-one
SMILESCC/N=C1\NC(=O)C2(CC(C)(C)Oc3ccc(F)cc32)N1
InChIInChI=1S/C15H18FN3O2/c1-4-17-13-18-12(20)15(19-13)8-14(2,3)21-11-6-5-9(16)7-10(11)15/h5-7H,4,8H2,1-3H3,(H2,17,18,19,20)
InChIKeyJFSMJXFTIUPJOH-UHFFFAOYSA-N
MW291.33 g/mol
LogP1.68
Rot. Bonds1

About 2'-ethylimino-6-fluoro-2,2-dimethylspiro[3H-chromene-4,5'-imidazolidine]-4'-one

2'-ethylimino-6-fluoro-2,2-dimethylspiro[3H-chromene-4,5'-imidazolidine]-4'-one (PubChem CID 135400961) has the molecular formula C15H18FN3O2 and a molecular weight of 291.33 g/mol. Its IUPAC name is 2'-ethylimino-6-fluoro-2,2-dimethylspiro[3H-chromene-4,5'-imidazolidine]-4'-one.

Molecular Properties

Compound Name2'-ethylimino-6-fluoro-2,2-dimethylspiro[3H-chromene-4,5'-imidazolidine]-4'-one
PubChem CID135400961
Molecular FormulaC15H18FN3O2
Molecular Weight291.33 g/mol
Exact Mass291.14
IUPAC Name2'-ethylimino-6-fluoro-2,2-dimethylspiro[3H-chromene-4,5'-imidazolidine]-4'-one
SMILESCC/N=C1\NC(=O)C2(CC(C)(C)Oc3ccc(F)cc32)N1
InChIInChI=1S/C15H18FN3O2/c1-4-17-13-18-12(20)15(19-13)8-14(2,3)21-11-6-5-9(16)7-10(11)15/h5-7H,4,8H2,1-3H3,(H2,17,18,19,20)
InChIKeyJFSMJXFTIUPJOH-UHFFFAOYSA-N
XLogP1.68
TPSA62.72 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.33
LogP ≤ 51.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2'-ethylimino-6-fluoro-2,2-dimethylspiro[3H-chromene-4,5'-imidazolidine]-4'-one?
The IUPAC name of 2'-ethylimino-6-fluoro-2,2-dimethylspiro[3H-chromene-4,5'-imidazolidine]-4'-one (CID 135400961) is 2'-ethylimino-6-fluoro-2,2-dimethylspiro[3H-chromene-4,5'-imidazolidine]-4'-one.
What is the SMILES notation for 2'-ethylimino-6-fluoro-2,2-dimethylspiro[3H-chromene-4,5'-imidazolidine]-4'-one?
The canonical SMILES for 2'-ethylimino-6-fluoro-2,2-dimethylspiro[3H-chromene-4,5'-imidazolidine]-4'-one is CC/N=C1\NC(=O)C2(CC(C)(C)Oc3ccc(F)cc32)N1.
What is the InChIKey of 2'-ethylimino-6-fluoro-2,2-dimethylspiro[3H-chromene-4,5'-imidazolidine]-4'-one?
The InChIKey is JFSMJXFTIUPJOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18FN3O2/c1-4-17-13-18-12(20)15(19-13)8-14(2,3)21-11-6-5-9(16)7-10(11)15/h5-7H,4,8H2,1-3H3,(H2,17,18,19,20).
What are the key properties of 2'-ethylimino-6-fluoro-2,2-dimethylspiro[3H-chromene-4,5'-imidazolidine]-4'-one?
2'-ethylimino-6-fluoro-2,2-dimethylspiro[3H-chromene-4,5'-imidazolidine]-4'-one has a molecular weight of 291.33 g/mol, XLogP of 1.68, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2'-ethylimino-6-fluoro-2,2-dimethylspiro[3H-chromene-4,5'-imidazolidine]-4'-one is sourced from PubChem (CID 135400961), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).