ethyl 2'-amino-5-bromo-2,5'-dioxospiro[1H-indole-3,4'-7,8-dihydro-6H-chromene]-3'-carboxylate

C19H17BrN2O5 — CID 5244173

IUPACethyl 2'-amino-5-bromo-2,5'-dioxospiro[1H-indole-3,4'-7,8-dihydro-6H-chromene]-3'-carboxylate
SMILESCCOC(=O)C1=C(N)OC2=C(C(=O)CCC2)C12C(=O)Nc1ccc(Br)cc12
InChIInChI=1S/C19H17BrN2O5/c1-2-26-17(24)15-16(21)27-13-5-3-4-12(23)14(13)19(15)10-8-9(20)6-7-11(10)22-18(19)25/h6-8H,2-5,21H2,1H3,(H,22,25)
InChIKeyRVTZVZWRLYHQCA-UHFFFAOYSA-N
MW433.26 g/mol
LogP2.41
Rot. Bonds2

About ethyl 2'-amino-5-bromo-2,5'-dioxospiro[1H-indole-3,4'-7,8-dihydro-6H-chromene]-3'-carboxylate

ethyl 2'-amino-5-bromo-2,5'-dioxospiro[1H-indole-3,4'-7,8-dihydro-6H-chromene]-3'-carboxylate (PubChem CID 5244173) has the molecular formula C19H17BrN2O5 and a molecular weight of 433.26 g/mol. Its IUPAC name is ethyl 2'-amino-5-bromo-2,5'-dioxospiro[1H-indole-3,4'-7,8-dihydro-6H-chromene]-3'-carboxylate.

Molecular Properties

Compound Nameethyl 2'-amino-5-bromo-2,5'-dioxospiro[1H-indole-3,4'-7,8-dihydro-6H-chromene]-3'-carboxylate
PubChem CID5244173
Molecular FormulaC19H17BrN2O5
Molecular Weight433.26 g/mol
Exact Mass432.03
IUPAC Nameethyl 2'-amino-5-bromo-2,5'-dioxospiro[1H-indole-3,4'-7,8-dihydro-6H-chromene]-3'-carboxylate
SMILESCCOC(=O)C1=C(N)OC2=C(C(=O)CCC2)C12C(=O)Nc1ccc(Br)cc12
InChIInChI=1S/C19H17BrN2O5/c1-2-26-17(24)15-16(21)27-13-5-3-4-12(23)14(13)19(15)10-8-9(20)6-7-11(10)22-18(19)25/h6-8H,2-5,21H2,1H3,(H,22,25)
InChIKeyRVTZVZWRLYHQCA-UHFFFAOYSA-N
XLogP2.41
TPSA107.72 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500433.26
LogP ≤ 52.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze ethyl 2'-amino-5-bromo-2,5'-dioxospiro[1H-indole-3,4'-7,8-dihydro-6H-chromene]-3'-carboxylate with MolForge

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Frequently Asked Questions

What is the IUPAC name of ethyl 2'-amino-5-bromo-2,5'-dioxospiro[1H-indole-3,4'-7,8-dihydro-6H-chromene]-3'-carboxylate?
The IUPAC name of ethyl 2'-amino-5-bromo-2,5'-dioxospiro[1H-indole-3,4'-7,8-dihydro-6H-chromene]-3'-carboxylate (CID 5244173) is ethyl 2'-amino-5-bromo-2,5'-dioxospiro[1H-indole-3,4'-7,8-dihydro-6H-chromene]-3'-carboxylate.
What is the SMILES notation for ethyl 2'-amino-5-bromo-2,5'-dioxospiro[1H-indole-3,4'-7,8-dihydro-6H-chromene]-3'-carboxylate?
The canonical SMILES for ethyl 2'-amino-5-bromo-2,5'-dioxospiro[1H-indole-3,4'-7,8-dihydro-6H-chromene]-3'-carboxylate is CCOC(=O)C1=C(N)OC2=C(C(=O)CCC2)C12C(=O)Nc1ccc(Br)cc12.
What is the InChIKey of ethyl 2'-amino-5-bromo-2,5'-dioxospiro[1H-indole-3,4'-7,8-dihydro-6H-chromene]-3'-carboxylate?
The InChIKey is RVTZVZWRLYHQCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17BrN2O5/c1-2-26-17(24)15-16(21)27-13-5-3-4-12(23)14(13)19(15)10-8-9(20)6-7-11(10)22-18(19)25/h6-8H,2-5,21H2,1H3,(H,22,25).
What are the key properties of ethyl 2'-amino-5-bromo-2,5'-dioxospiro[1H-indole-3,4'-7,8-dihydro-6H-chromene]-3'-carboxylate?
ethyl 2'-amino-5-bromo-2,5'-dioxospiro[1H-indole-3,4'-7,8-dihydro-6H-chromene]-3'-carboxylate has a molecular weight of 433.26 g/mol, XLogP of 2.41, 2 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2'-amino-5-bromo-2,5'-dioxospiro[1H-indole-3,4'-7,8-dihydro-6H-chromene]-3'-carboxylate is sourced from PubChem (CID 5244173), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).