propan-2-yl 2'-amino-5-bromo-7',7'-dimethyl-2,5'-dioxospiro[1H-indole-3,4'-6,8-dihydrochromene]-3'-carboxylate

C22H23BrN2O5 — CID 3289182

IUPACpropan-2-yl 2'-amino-5-bromo-7',7'-dimethyl-2,5'-dioxospiro[1H-indole-3,4'-6,8-dihydrochromene]-3'-carboxylate
SMILESCC(C)OC(=O)C1=C(N)OC2=C(C(=O)CC(C)(C)C2)C12C(=O)Nc1ccc(Br)cc12
InChIInChI=1S/C22H23BrN2O5/c1-10(2)29-19(27)17-18(24)30-15-9-21(3,4)8-14(26)16(15)22(17)12-7-11(23)5-6-13(12)25-20(22)28/h5-7,10H,8-9,24H2,1-4H3,(H,25,28)
InChIKeyHKIXVDRXUGHRAQ-UHFFFAOYSA-N
MW475.34 g/mol
LogP3.43
Rot. Bonds2

About propan-2-yl 2'-amino-5-bromo-7',7'-dimethyl-2,5'-dioxospiro[1H-indole-3,4'-6,8-dihydrochromene]-3'-carboxylate

propan-2-yl 2'-amino-5-bromo-7',7'-dimethyl-2,5'-dioxospiro[1H-indole-3,4'-6,8-dihydrochromene]-3'-carboxylate (PubChem CID 3289182) has the molecular formula C22H23BrN2O5 and a molecular weight of 475.34 g/mol. Its IUPAC name is propan-2-yl 2'-amino-5-bromo-7',7'-dimethyl-2,5'-dioxospiro[1H-indole-3,4'-6,8-dihydrochromene]-3'-carboxylate.

Molecular Properties

Compound Namepropan-2-yl 2'-amino-5-bromo-7',7'-dimethyl-2,5'-dioxospiro[1H-indole-3,4'-6,8-dihydrochromene]-3'-carboxylate
PubChem CID3289182
Molecular FormulaC22H23BrN2O5
Molecular Weight475.34 g/mol
Exact Mass474.08
IUPAC Namepropan-2-yl 2'-amino-5-bromo-7',7'-dimethyl-2,5'-dioxospiro[1H-indole-3,4'-6,8-dihydrochromene]-3'-carboxylate
SMILESCC(C)OC(=O)C1=C(N)OC2=C(C(=O)CC(C)(C)C2)C12C(=O)Nc1ccc(Br)cc12
InChIInChI=1S/C22H23BrN2O5/c1-10(2)29-19(27)17-18(24)30-15-9-21(3,4)8-14(26)16(15)22(17)12-7-11(23)5-6-13(12)25-20(22)28/h5-7,10H,8-9,24H2,1-4H3,(H,25,28)
InChIKeyHKIXVDRXUGHRAQ-UHFFFAOYSA-N
XLogP3.43
TPSA107.72 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500475.34
LogP ≤ 53.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of propan-2-yl 2'-amino-5-bromo-7',7'-dimethyl-2,5'-dioxospiro[1H-indole-3,4'-6,8-dihydrochromene]-3'-carboxylate?
The IUPAC name of propan-2-yl 2'-amino-5-bromo-7',7'-dimethyl-2,5'-dioxospiro[1H-indole-3,4'-6,8-dihydrochromene]-3'-carboxylate (CID 3289182) is propan-2-yl 2'-amino-5-bromo-7',7'-dimethyl-2,5'-dioxospiro[1H-indole-3,4'-6,8-dihydrochromene]-3'-carboxylate.
What is the SMILES notation for propan-2-yl 2'-amino-5-bromo-7',7'-dimethyl-2,5'-dioxospiro[1H-indole-3,4'-6,8-dihydrochromene]-3'-carboxylate?
The canonical SMILES for propan-2-yl 2'-amino-5-bromo-7',7'-dimethyl-2,5'-dioxospiro[1H-indole-3,4'-6,8-dihydrochromene]-3'-carboxylate is CC(C)OC(=O)C1=C(N)OC2=C(C(=O)CC(C)(C)C2)C12C(=O)Nc1ccc(Br)cc12.
What is the InChIKey of propan-2-yl 2'-amino-5-bromo-7',7'-dimethyl-2,5'-dioxospiro[1H-indole-3,4'-6,8-dihydrochromene]-3'-carboxylate?
The InChIKey is HKIXVDRXUGHRAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23BrN2O5/c1-10(2)29-19(27)17-18(24)30-15-9-21(3,4)8-14(26)16(15)22(17)12-7-11(23)5-6-13(12)25-20(22)28/h5-7,10H,8-9,24H2,1-4H3,(H,25,28).
What are the key properties of propan-2-yl 2'-amino-5-bromo-7',7'-dimethyl-2,5'-dioxospiro[1H-indole-3,4'-6,8-dihydrochromene]-3'-carboxylate?
propan-2-yl 2'-amino-5-bromo-7',7'-dimethyl-2,5'-dioxospiro[1H-indole-3,4'-6,8-dihydrochromene]-3'-carboxylate has a molecular weight of 475.34 g/mol, XLogP of 3.43, 2 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for propan-2-yl 2'-amino-5-bromo-7',7'-dimethyl-2,5'-dioxospiro[1H-indole-3,4'-6,8-dihydrochromene]-3'-carboxylate is sourced from PubChem (CID 3289182), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).