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

C16H20BrN3O2 — CID 135418467

IUPAC6-bromo-2,2-dimethyl-2'-propyliminospiro[3H-chromene-4,5'-imidazolidine]-4'-one
SMILESCCC/N=C1\NC(=O)C2(CC(C)(C)Oc3ccc(Br)cc32)N1
InChIInChI=1S/C16H20BrN3O2/c1-4-7-18-14-19-13(21)16(20-14)9-15(2,3)22-12-6-5-10(17)8-11(12)16/h5-6,8H,4,7,9H2,1-3H3,(H2,18,19,20,21)
InChIKeySKABRRBNTBHDTE-UHFFFAOYSA-N
MW366.26 g/mol
LogP2.69
Rot. Bonds2

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

6-bromo-2,2-dimethyl-2'-propyliminospiro[3H-chromene-4,5'-imidazolidine]-4'-one (PubChem CID 135418467) has the molecular formula C16H20BrN3O2 and a molecular weight of 366.26 g/mol. Its IUPAC name is 6-bromo-2,2-dimethyl-2'-propyliminospiro[3H-chromene-4,5'-imidazolidine]-4'-one.

Molecular Properties

Compound Name6-bromo-2,2-dimethyl-2'-propyliminospiro[3H-chromene-4,5'-imidazolidine]-4'-one
PubChem CID135418467
Molecular FormulaC16H20BrN3O2
Molecular Weight366.26 g/mol
Exact Mass365.07
IUPAC Name6-bromo-2,2-dimethyl-2'-propyliminospiro[3H-chromene-4,5'-imidazolidine]-4'-one
SMILESCCC/N=C1\NC(=O)C2(CC(C)(C)Oc3ccc(Br)cc32)N1
InChIInChI=1S/C16H20BrN3O2/c1-4-7-18-14-19-13(21)16(20-14)9-15(2,3)22-12-6-5-10(17)8-11(12)16/h5-6,8H,4,7,9H2,1-3H3,(H2,18,19,20,21)
InChIKeySKABRRBNTBHDTE-UHFFFAOYSA-N
XLogP2.69
TPSA62.72 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.26
LogP ≤ 52.69
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'-propyliminospiro[3H-chromene-4,5'-imidazolidine]-4'-one?
The IUPAC name of 6-bromo-2,2-dimethyl-2'-propyliminospiro[3H-chromene-4,5'-imidazolidine]-4'-one (CID 135418467) is 6-bromo-2,2-dimethyl-2'-propyliminospiro[3H-chromene-4,5'-imidazolidine]-4'-one.
What is the SMILES notation for 6-bromo-2,2-dimethyl-2'-propyliminospiro[3H-chromene-4,5'-imidazolidine]-4'-one?
The canonical SMILES for 6-bromo-2,2-dimethyl-2'-propyliminospiro[3H-chromene-4,5'-imidazolidine]-4'-one is CCC/N=C1\NC(=O)C2(CC(C)(C)Oc3ccc(Br)cc32)N1.
What is the InChIKey of 6-bromo-2,2-dimethyl-2'-propyliminospiro[3H-chromene-4,5'-imidazolidine]-4'-one?
The InChIKey is SKABRRBNTBHDTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20BrN3O2/c1-4-7-18-14-19-13(21)16(20-14)9-15(2,3)22-12-6-5-10(17)8-11(12)16/h5-6,8H,4,7,9H2,1-3H3,(H2,18,19,20,21).
What are the key properties of 6-bromo-2,2-dimethyl-2'-propyliminospiro[3H-chromene-4,5'-imidazolidine]-4'-one?
6-bromo-2,2-dimethyl-2'-propyliminospiro[3H-chromene-4,5'-imidazolidine]-4'-one has a molecular weight of 366.26 g/mol, XLogP of 2.69, 2 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'-propyliminospiro[3H-chromene-4,5'-imidazolidine]-4'-one is sourced from PubChem (CID 135418467), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).