6-bromo-2,2-dimethyl-2'-methyliminospiro[3H-chromene-4,5'-imidazolidine]-4'-one

C14H16BrN3O2 — CID 135442305

IUPAC6-bromo-2,2-dimethyl-2'-methyliminospiro[3H-chromene-4,5'-imidazolidine]-4'-one
SMILESC/N=C1\NC(=O)C2(CC(C)(C)Oc3ccc(Br)cc32)N1
InChIInChI=1S/C14H16BrN3O2/c1-13(2)7-14(11(19)17-12(16-3)18-14)9-6-8(15)4-5-10(9)20-13/h4-6H,7H2,1-3H3,(H2,16,17,18,19)
InChIKeyIHAXLRGRAWWPRQ-UHFFFAOYSA-N
MW338.21 g/mol
LogP1.91
Rot. Bonds

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

6-bromo-2,2-dimethyl-2'-methyliminospiro[3H-chromene-4,5'-imidazolidine]-4'-one (PubChem CID 135442305) has the molecular formula C14H16BrN3O2 and a molecular weight of 338.21 g/mol. Its IUPAC name is 6-bromo-2,2-dimethyl-2'-methyliminospiro[3H-chromene-4,5'-imidazolidine]-4'-one.

Molecular Properties

Compound Name6-bromo-2,2-dimethyl-2'-methyliminospiro[3H-chromene-4,5'-imidazolidine]-4'-one
PubChem CID135442305
Molecular FormulaC14H16BrN3O2
Molecular Weight338.21 g/mol
Exact Mass337.04
IUPAC Name6-bromo-2,2-dimethyl-2'-methyliminospiro[3H-chromene-4,5'-imidazolidine]-4'-one
SMILESC/N=C1\NC(=O)C2(CC(C)(C)Oc3ccc(Br)cc32)N1
InChIInChI=1S/C14H16BrN3O2/c1-13(2)7-14(11(19)17-12(16-3)18-14)9-6-8(15)4-5-10(9)20-13/h4-6H,7H2,1-3H3,(H2,16,17,18,19)
InChIKeyIHAXLRGRAWWPRQ-UHFFFAOYSA-N
XLogP1.91
TPSA62.72 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.21
LogP ≤ 51.91
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-2,2-dimethyl-2'-methyliminospiro[3H-chromene-4,5'-imidazolidine]-4'-one?
The IUPAC name of 6-bromo-2,2-dimethyl-2'-methyliminospiro[3H-chromene-4,5'-imidazolidine]-4'-one (CID 135442305) is 6-bromo-2,2-dimethyl-2'-methyliminospiro[3H-chromene-4,5'-imidazolidine]-4'-one.
What is the SMILES notation for 6-bromo-2,2-dimethyl-2'-methyliminospiro[3H-chromene-4,5'-imidazolidine]-4'-one?
The canonical SMILES for 6-bromo-2,2-dimethyl-2'-methyliminospiro[3H-chromene-4,5'-imidazolidine]-4'-one is C/N=C1\NC(=O)C2(CC(C)(C)Oc3ccc(Br)cc32)N1.
What is the InChIKey of 6-bromo-2,2-dimethyl-2'-methyliminospiro[3H-chromene-4,5'-imidazolidine]-4'-one?
The InChIKey is IHAXLRGRAWWPRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16BrN3O2/c1-13(2)7-14(11(19)17-12(16-3)18-14)9-6-8(15)4-5-10(9)20-13/h4-6H,7H2,1-3H3,(H2,16,17,18,19).
What are the key properties of 6-bromo-2,2-dimethyl-2'-methyliminospiro[3H-chromene-4,5'-imidazolidine]-4'-one?
6-bromo-2,2-dimethyl-2'-methyliminospiro[3H-chromene-4,5'-imidazolidine]-4'-one has a molecular weight of 338.21 g/mol, XLogP of 1.91, 0 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-2,2-dimethyl-2'-methyliminospiro[3H-chromene-4,5'-imidazolidine]-4'-one is sourced from PubChem (CID 135442305), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).