(4R)-2'-amino-6-bromo-2,2,3'-trimethylspiro[3H-chromene-4,5'-imidazole]-4'-one

C14H16BrN3O2 — CID 137347967

IUPAC(4R)-2'-amino-6-bromo-2,2,3'-trimethylspiro[3H-chromene-4,5'-imidazole]-4'-one
SMILESCN1C(=O)[C@]2(CC(C)(C)Oc3ccc(Br)cc32)N=C1N
InChIInChI=1S/C14H16BrN3O2/c1-13(2)7-14(11(19)18(3)12(16)17-14)9-6-8(15)4-5-10(9)20-13/h4-6H,7H2,1-3H3,(H2,16,17)/t14-/m1/s1
InChIKeyGCJNGEZDKLVQNN-CQSZACIVSA-N
MW338.21 g/mol
LogP1.99
Rot. Bonds

About (4R)-2'-amino-6-bromo-2,2,3'-trimethylspiro[3H-chromene-4,5'-imidazole]-4'-one

(4R)-2'-amino-6-bromo-2,2,3'-trimethylspiro[3H-chromene-4,5'-imidazole]-4'-one (PubChem CID 137347967) has the molecular formula C14H16BrN3O2 and a molecular weight of 338.21 g/mol. Its IUPAC name is (4R)-2'-amino-6-bromo-2,2,3'-trimethylspiro[3H-chromene-4,5'-imidazole]-4'-one.

Molecular Properties

Compound Name(4R)-2'-amino-6-bromo-2,2,3'-trimethylspiro[3H-chromene-4,5'-imidazole]-4'-one
PubChem CID137347967
Molecular FormulaC14H16BrN3O2
Molecular Weight338.21 g/mol
Exact Mass337.04
IUPAC Name(4R)-2'-amino-6-bromo-2,2,3'-trimethylspiro[3H-chromene-4,5'-imidazole]-4'-one
SMILESCN1C(=O)[C@]2(CC(C)(C)Oc3ccc(Br)cc32)N=C1N
InChIInChI=1S/C14H16BrN3O2/c1-13(2)7-14(11(19)18(3)12(16)17-14)9-6-8(15)4-5-10(9)20-13/h4-6H,7H2,1-3H3,(H2,16,17)/t14-/m1/s1
InChIKeyGCJNGEZDKLVQNN-CQSZACIVSA-N
XLogP1.99
TPSA67.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.21
LogP ≤ 51.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

6-Bromospiro[2,3-dihydrochromene-4,5'-imidazolidine]-2',4'-dione
CID 15572752
(4aS,10R,10aS)-2'-amino-8-bromo-3'-methylspiro[3,4,4a,10a-tetrahydro-1H-pyrano[4,3-b]chromene-10,5'-imidazole]-4'-one
CID 56948455
2'-amino-6-(3-ethoxyphenyl)-2,2,3'-trimethylspiro[3H-chromene-4,5'-imidazole]-4'-one
CID 68321815
2'-amino-2,2,3'-trimethyl-6-phenylspiro[3H-chromene-4,5'-imidazole]-4'-one
CID 68321874
(4R)-2'-amino-6-(3-methoxyphenyl)-2,2,3'-trimethylspiro[3H-chromene-4,5'-imidazole]-4'-one
CID 68321882
2'-amino-2,2,3'-trimethyl-6-[3-(trifluoromethyl)phenyl]spiro[3H-chromene-4,5'-imidazole]-4'-one
CID 68322078
2'-amino-6-(3-fluorophenyl)-2,2,3'-trimethylspiro[3H-chromene-4,5'-imidazole]-4'-one
CID 68322079
2'-amino-6-cyclohexyl-2,2,3'-trimethylspiro[3H-chromene-4,5'-imidazole]-4'-one
CID 68322085
2'-amino-6-(3-methoxyphenyl)-2,2,3'-trimethylspiro[3H-chromene-4,5'-imidazole]-4'-one
CID 71625880
(4r)-2'-Amino-6-Bromo-1',2,2-Trimethyl-2,3-Dihydrospiro[chromene-4,4'-Imidazol]-5'(1'h)-One
CID 58423762
2'-amino-6-(4-methoxyphenyl)-2,2,3'-trimethylspiro[3H-chromene-4,5'-imidazole]-4'-one
CID 68321895
2'-amino-6-(2-methoxyphenyl)-2,2,3'-trimethylspiro[3H-chromene-4,5'-imidazole]-4'-one
CID 68321900

Frequently Asked Questions

What is the IUPAC name of (4R)-2'-amino-6-bromo-2,2,3'-trimethylspiro[3H-chromene-4,5'-imidazole]-4'-one?
The IUPAC name of (4R)-2'-amino-6-bromo-2,2,3'-trimethylspiro[3H-chromene-4,5'-imidazole]-4'-one (CID 137347967) is (4R)-2'-amino-6-bromo-2,2,3'-trimethylspiro[3H-chromene-4,5'-imidazole]-4'-one.
What is the SMILES notation for (4R)-2'-amino-6-bromo-2,2,3'-trimethylspiro[3H-chromene-4,5'-imidazole]-4'-one?
The canonical SMILES for (4R)-2'-amino-6-bromo-2,2,3'-trimethylspiro[3H-chromene-4,5'-imidazole]-4'-one is CN1C(=O)[C@]2(CC(C)(C)Oc3ccc(Br)cc32)N=C1N.
What is the InChIKey of (4R)-2'-amino-6-bromo-2,2,3'-trimethylspiro[3H-chromene-4,5'-imidazole]-4'-one?
The InChIKey is GCJNGEZDKLVQNN-CQSZACIVSA-N. The full InChI is InChI=1S/C14H16BrN3O2/c1-13(2)7-14(11(19)18(3)12(16)17-14)9-6-8(15)4-5-10(9)20-13/h4-6H,7H2,1-3H3,(H2,16,17)/t14-/m1/s1.
What are the key properties of (4R)-2'-amino-6-bromo-2,2,3'-trimethylspiro[3H-chromene-4,5'-imidazole]-4'-one?
(4R)-2'-amino-6-bromo-2,2,3'-trimethylspiro[3H-chromene-4,5'-imidazole]-4'-one has a molecular weight of 338.21 g/mol, XLogP of 1.99, 0 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-2'-amino-6-bromo-2,2,3'-trimethylspiro[3H-chromene-4,5'-imidazole]-4'-one is sourced from PubChem (CID 137347967), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).