6'-bromo-2-ethoxy-2',2'-dimethylspiro[1H-imidazole-4,4'-3H-chromene]-5-one

C15H17BrN2O3 — CID 10066637

IUPAC6'-bromo-2-ethoxy-2',2'-dimethylspiro[1H-imidazole-4,4'-3H-chromene]-5-one
SMILESCCOC1=NC2(CC(C)(C)Oc3ccc(Br)cc32)C(=O)N1
InChIInChI=1S/C15H17BrN2O3/c1-4-20-13-17-12(19)15(18-13)8-14(2,3)21-11-6-5-9(16)7-10(11)15/h5-7H,4,8H2,1-3H3,(H,17,18,19)
InChIKeyVUNIQTZWDNPPMT-UHFFFAOYSA-N
MW353.22 g/mol
LogP2.73
Rot. Bonds1

About 6'-bromo-2-ethoxy-2',2'-dimethylspiro[1H-imidazole-4,4'-3H-chromene]-5-one

6'-bromo-2-ethoxy-2',2'-dimethylspiro[1H-imidazole-4,4'-3H-chromene]-5-one (PubChem CID 10066637) has the molecular formula C15H17BrN2O3 and a molecular weight of 353.22 g/mol. Its IUPAC name is 6'-bromo-2-ethoxy-2',2'-dimethylspiro[1H-imidazole-4,4'-3H-chromene]-5-one.

Molecular Properties

Compound Name6'-bromo-2-ethoxy-2',2'-dimethylspiro[1H-imidazole-4,4'-3H-chromene]-5-one
PubChem CID10066637
Molecular FormulaC15H17BrN2O3
Molecular Weight353.22 g/mol
Exact Mass352.04
IUPAC Name6'-bromo-2-ethoxy-2',2'-dimethylspiro[1H-imidazole-4,4'-3H-chromene]-5-one
SMILESCCOC1=NC2(CC(C)(C)Oc3ccc(Br)cc32)C(=O)N1
InChIInChI=1S/C15H17BrN2O3/c1-4-20-13-17-12(19)15(18-13)8-14(2,3)21-11-6-5-9(16)7-10(11)15/h5-7H,4,8H2,1-3H3,(H,17,18,19)
InChIKeyVUNIQTZWDNPPMT-UHFFFAOYSA-N
XLogP2.73
TPSA59.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.22
LogP ≤ 52.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6'-bromo-2-ethoxy-2',2'-dimethylspiro[1H-imidazole-4,4'-3H-chromene]-5-one?
The IUPAC name of 6'-bromo-2-ethoxy-2',2'-dimethylspiro[1H-imidazole-4,4'-3H-chromene]-5-one (CID 10066637) is 6'-bromo-2-ethoxy-2',2'-dimethylspiro[1H-imidazole-4,4'-3H-chromene]-5-one.
What is the SMILES notation for 6'-bromo-2-ethoxy-2',2'-dimethylspiro[1H-imidazole-4,4'-3H-chromene]-5-one?
The canonical SMILES for 6'-bromo-2-ethoxy-2',2'-dimethylspiro[1H-imidazole-4,4'-3H-chromene]-5-one is CCOC1=NC2(CC(C)(C)Oc3ccc(Br)cc32)C(=O)N1.
What is the InChIKey of 6'-bromo-2-ethoxy-2',2'-dimethylspiro[1H-imidazole-4,4'-3H-chromene]-5-one?
The InChIKey is VUNIQTZWDNPPMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17BrN2O3/c1-4-20-13-17-12(19)15(18-13)8-14(2,3)21-11-6-5-9(16)7-10(11)15/h5-7H,4,8H2,1-3H3,(H,17,18,19).
What are the key properties of 6'-bromo-2-ethoxy-2',2'-dimethylspiro[1H-imidazole-4,4'-3H-chromene]-5-one?
6'-bromo-2-ethoxy-2',2'-dimethylspiro[1H-imidazole-4,4'-3H-chromene]-5-one has a molecular weight of 353.22 g/mol, XLogP of 2.73, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6'-bromo-2-ethoxy-2',2'-dimethylspiro[1H-imidazole-4,4'-3H-chromene]-5-one is sourced from PubChem (CID 10066637), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).