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

C15H18BrN3O2 — CID 135430552

IUPAC6-bromo-2'-ethylimino-2,2-dimethylspiro[3H-chromene-4,5'-imidazolidine]-4'-one
SMILESCC/N=C1\NC(=O)C2(CC(C)(C)Oc3ccc(Br)cc32)N1
InChIInChI=1S/C15H18BrN3O2/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)
InChIKeyBPXVCLHEXZBINH-UHFFFAOYSA-N
MW352.23 g/mol
LogP2.30
Rot. Bonds1

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

6-bromo-2'-ethylimino-2,2-dimethylspiro[3H-chromene-4,5'-imidazolidine]-4'-one (PubChem CID 135430552) has the molecular formula C15H18BrN3O2 and a molecular weight of 352.23 g/mol. Its IUPAC name is 6-bromo-2'-ethylimino-2,2-dimethylspiro[3H-chromene-4,5'-imidazolidine]-4'-one.

Molecular Properties

Compound Name6-bromo-2'-ethylimino-2,2-dimethylspiro[3H-chromene-4,5'-imidazolidine]-4'-one
PubChem CID135430552
Molecular FormulaC15H18BrN3O2
Molecular Weight352.23 g/mol
Exact Mass351.06
IUPAC Name6-bromo-2'-ethylimino-2,2-dimethylspiro[3H-chromene-4,5'-imidazolidine]-4'-one
SMILESCC/N=C1\NC(=O)C2(CC(C)(C)Oc3ccc(Br)cc32)N1
InChIInChI=1S/C15H18BrN3O2/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)
InChIKeyBPXVCLHEXZBINH-UHFFFAOYSA-N
XLogP2.30
TPSA62.72 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.23
LogP ≤ 52.30
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 6-bromo-2'-ethylimino-2,2-dimethylspiro[3H-chromene-4,5'-imidazolidine]-4'-one?
The IUPAC name of 6-bromo-2'-ethylimino-2,2-dimethylspiro[3H-chromene-4,5'-imidazolidine]-4'-one (CID 135430552) is 6-bromo-2'-ethylimino-2,2-dimethylspiro[3H-chromene-4,5'-imidazolidine]-4'-one.
What is the SMILES notation for 6-bromo-2'-ethylimino-2,2-dimethylspiro[3H-chromene-4,5'-imidazolidine]-4'-one?
The canonical SMILES for 6-bromo-2'-ethylimino-2,2-dimethylspiro[3H-chromene-4,5'-imidazolidine]-4'-one is CC/N=C1\NC(=O)C2(CC(C)(C)Oc3ccc(Br)cc32)N1.
What is the InChIKey of 6-bromo-2'-ethylimino-2,2-dimethylspiro[3H-chromene-4,5'-imidazolidine]-4'-one?
The InChIKey is BPXVCLHEXZBINH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18BrN3O2/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 6-bromo-2'-ethylimino-2,2-dimethylspiro[3H-chromene-4,5'-imidazolidine]-4'-one?
6-bromo-2'-ethylimino-2,2-dimethylspiro[3H-chromene-4,5'-imidazolidine]-4'-one has a molecular weight of 352.23 g/mol, XLogP of 2.30, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-2'-ethylimino-2,2-dimethylspiro[3H-chromene-4,5'-imidazolidine]-4'-one is sourced from PubChem (CID 135430552), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).