tert-butyl 2'-amino-6'-bromo-6,6-dimethyl-2,4-dioxospiro[5,7-dihydro-1H-indole-3,4'-chromene]-3'-carboxylate

C23H25BrN2O5 — CID 2969756

IUPACtert-butyl 2'-amino-6'-bromo-6,6-dimethyl-2,4-dioxospiro[5,7-dihydro-1H-indole-3,4'-chromene]-3'-carboxylate
SMILESCC1(C)CC(=O)C2=C(C1)NC(=O)C21C(C(=O)OC(C)(C)C)=C(N)Oc2ccc(Br)cc21
InChIInChI=1S/C23H25BrN2O5/c1-21(2,3)31-19(28)17-18(25)30-15-7-6-11(24)8-12(15)23(17)16-13(26-20(23)29)9-22(4,5)10-14(16)27/h6-8H,9-10,25H2,1-5H3,(H,26,29)
InChIKeyYKCFROVKTYTSQT-UHFFFAOYSA-N
MW489.37 g/mol
LogP3.36
Rot. Bonds1

About tert-butyl 2'-amino-6'-bromo-6,6-dimethyl-2,4-dioxospiro[5,7-dihydro-1H-indole-3,4'-chromene]-3'-carboxylate

tert-butyl 2'-amino-6'-bromo-6,6-dimethyl-2,4-dioxospiro[5,7-dihydro-1H-indole-3,4'-chromene]-3'-carboxylate (PubChem CID 2969756) has the molecular formula C23H25BrN2O5 and a molecular weight of 489.37 g/mol. Its IUPAC name is tert-butyl 2'-amino-6'-bromo-6,6-dimethyl-2,4-dioxospiro[5,7-dihydro-1H-indole-3,4'-chromene]-3'-carboxylate.

Molecular Properties

Compound Nametert-butyl 2'-amino-6'-bromo-6,6-dimethyl-2,4-dioxospiro[5,7-dihydro-1H-indole-3,4'-chromene]-3'-carboxylate
PubChem CID2969756
Molecular FormulaC23H25BrN2O5
Molecular Weight489.37 g/mol
Exact Mass488.09
IUPAC Nametert-butyl 2'-amino-6'-bromo-6,6-dimethyl-2,4-dioxospiro[5,7-dihydro-1H-indole-3,4'-chromene]-3'-carboxylate
SMILESCC1(C)CC(=O)C2=C(C1)NC(=O)C21C(C(=O)OC(C)(C)C)=C(N)Oc2ccc(Br)cc21
InChIInChI=1S/C23H25BrN2O5/c1-21(2,3)31-19(28)17-18(25)30-15-7-6-11(24)8-12(15)23(17)16-13(26-20(23)29)9-22(4,5)10-14(16)27/h6-8H,9-10,25H2,1-5H3,(H,26,29)
InChIKeyYKCFROVKTYTSQT-UHFFFAOYSA-N
XLogP3.36
TPSA107.72 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500489.37
LogP ≤ 53.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze tert-butyl 2'-amino-6'-bromo-6,6-dimethyl-2,4-dioxospiro[5,7-dihydro-1H-indole-3,4'-chromene]-3'-carboxylate with MolForge

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Related Compounds

tert-butyl 2'-amino-5-bromo-2-oxospiro[1H-indole-3,4'-5,6,7,8-tetrahydrochromene]-3'-carboxylate
CID 102035283
3-O'-tert-butyl 5-O'-propan-2-yl (3S)-2'-amino-5-bromo-6'-methyl-2-oxospiro[1H-indole-3,4'-pyran]-3',5'-dicarboxylate
CID 1388187
5-O'-tert-butyl 3-O'-(2-methoxyethyl) (3R)-2'-amino-5-bromo-6'-methyl-2-oxospiro[1H-indole-3,4'-pyran]-3',5'-dicarboxylate
CID 51392210
tert-butyl 6'-amino-5-bromo-5'-cyano-2'-methyl-2-oxospiro[1H-indole-3,4'-pyran]-3'-carboxylate
CID 3125783
3-O-tert-butyl 3-O'-ethyl (4S)-2'-amino-2-methyl-5-oxospiro[1H-pyrrole-4,4'-chromene]-3,3'-dicarboxylate
CID 7266668
ethyl 2'-amino-5,7',7'-trimethyl-2,5'-dioxospiro[1H-indole-3,4'-6,8-dihydrochromene]-3'-carboxylate
CID 66557741
ethyl (3R)-2'-amino-5,7',7'-trimethyl-2,5'-dioxospiro[1H-indole-3,4'-6,8-dihydrochromene]-3'-carboxylate
CID 97038245
tert-butyl 2'-amino-6'-bromo-2-methyl-5-oxospiro[1H-pyrrole-4,4'-indeno[2,1-d][1,3]oxazole]-3-carboxylate
CID 17273820
ethyl 2'-amino-5-bromo-1'-[4-(diethylamino)phenyl]-7',7'-dimethyl-2,5'-dioxospiro[1H-indole-3,4'-6,8-dihydroquinoline]-3'-carboxylate
CID 23914146
5'-bromo-8,8-dimethylspiro[1,7,9,10-tetrahydropyrimido[4,5-b]quinoline-5,3'-1H-indole]-2,2',4,6-tetrone
CID 102490687
ethyl 2'-amino-5-bromo-2,5',10'-trioxospiro[1H-indole-3,4'-benzo[g]chromene]-3'-carboxylate
CID 54590009
ethyl (3S,7'S)-2'-amino-5-bromo-7'-(furan-2-yl)-2,5'-dioxospiro[1H-indole-3,4'-7,8-dihydro-6H-chromene]-3'-carboxylate
CID 41281732

Frequently Asked Questions

What is the IUPAC name of tert-butyl 2'-amino-6'-bromo-6,6-dimethyl-2,4-dioxospiro[5,7-dihydro-1H-indole-3,4'-chromene]-3'-carboxylate?
The IUPAC name of tert-butyl 2'-amino-6'-bromo-6,6-dimethyl-2,4-dioxospiro[5,7-dihydro-1H-indole-3,4'-chromene]-3'-carboxylate (CID 2969756) is tert-butyl 2'-amino-6'-bromo-6,6-dimethyl-2,4-dioxospiro[5,7-dihydro-1H-indole-3,4'-chromene]-3'-carboxylate.
What is the SMILES notation for tert-butyl 2'-amino-6'-bromo-6,6-dimethyl-2,4-dioxospiro[5,7-dihydro-1H-indole-3,4'-chromene]-3'-carboxylate?
The canonical SMILES for tert-butyl 2'-amino-6'-bromo-6,6-dimethyl-2,4-dioxospiro[5,7-dihydro-1H-indole-3,4'-chromene]-3'-carboxylate is CC1(C)CC(=O)C2=C(C1)NC(=O)C21C(C(=O)OC(C)(C)C)=C(N)Oc2ccc(Br)cc21.
What is the InChIKey of tert-butyl 2'-amino-6'-bromo-6,6-dimethyl-2,4-dioxospiro[5,7-dihydro-1H-indole-3,4'-chromene]-3'-carboxylate?
The InChIKey is YKCFROVKTYTSQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25BrN2O5/c1-21(2,3)31-19(28)17-18(25)30-15-7-6-11(24)8-12(15)23(17)16-13(26-20(23)29)9-22(4,5)10-14(16)27/h6-8H,9-10,25H2,1-5H3,(H,26,29).
What are the key properties of tert-butyl 2'-amino-6'-bromo-6,6-dimethyl-2,4-dioxospiro[5,7-dihydro-1H-indole-3,4'-chromene]-3'-carboxylate?
tert-butyl 2'-amino-6'-bromo-6,6-dimethyl-2,4-dioxospiro[5,7-dihydro-1H-indole-3,4'-chromene]-3'-carboxylate has a molecular weight of 489.37 g/mol, XLogP of 3.36, 1 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 2'-amino-6'-bromo-6,6-dimethyl-2,4-dioxospiro[5,7-dihydro-1H-indole-3,4'-chromene]-3'-carboxylate is sourced from PubChem (CID 2969756), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).