tert-butyl 2-(5-chloro-2,2'-dioxospiro[indole-3,4'-pyrrolidine]-1-yl)acetate

C17H19ClN2O4 — CID 24827314

IUPACtert-butyl 2-(5-chloro-2,2'-dioxospiro[indole-3,4'-pyrrolidine]-1-yl)acetate
SMILESCC(C)(C)OC(=O)CN1C(=O)C2(CNC(=O)C2)c2cc(Cl)ccc21
InChIInChI=1S/C17H19ClN2O4/c1-16(2,3)24-14(22)8-20-12-5-4-10(18)6-11(12)17(15(20)23)7-13(21)19-9-17/h4-6H,7-9H2,1-3H3,(H,19,21)
InChIKeyVTOMBXZKTOLYLG-UHFFFAOYSA-N
MW350.80 g/mol
LogP1.79
Rot. Bonds2

About tert-butyl 2-(5-chloro-2,2'-dioxospiro[indole-3,4'-pyrrolidine]-1-yl)acetate

tert-butyl 2-(5-chloro-2,2'-dioxospiro[indole-3,4'-pyrrolidine]-1-yl)acetate (PubChem CID 24827314) has the molecular formula C17H19ClN2O4 and a molecular weight of 350.80 g/mol. Its IUPAC name is tert-butyl 2-(5-chloro-2,2'-dioxospiro[indole-3,4'-pyrrolidine]-1-yl)acetate.

Molecular Properties

Compound Nametert-butyl 2-(5-chloro-2,2'-dioxospiro[indole-3,4'-pyrrolidine]-1-yl)acetate
PubChem CID24827314
Molecular FormulaC17H19ClN2O4
Molecular Weight350.80 g/mol
Exact Mass350.10
IUPAC Nametert-butyl 2-(5-chloro-2,2'-dioxospiro[indole-3,4'-pyrrolidine]-1-yl)acetate
SMILESCC(C)(C)OC(=O)CN1C(=O)C2(CNC(=O)C2)c2cc(Cl)ccc21
InChIInChI=1S/C17H19ClN2O4/c1-16(2,3)24-14(22)8-20-12-5-4-10(18)6-11(12)17(15(20)23)7-13(21)19-9-17/h4-6H,7-9H2,1-3H3,(H,19,21)
InChIKeyVTOMBXZKTOLYLG-UHFFFAOYSA-N
XLogP1.79
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.80
LogP ≤ 51.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of tert-butyl 2-(5-chloro-2,2'-dioxospiro[indole-3,4'-pyrrolidine]-1-yl)acetate?
The IUPAC name of tert-butyl 2-(5-chloro-2,2'-dioxospiro[indole-3,4'-pyrrolidine]-1-yl)acetate (CID 24827314) is tert-butyl 2-(5-chloro-2,2'-dioxospiro[indole-3,4'-pyrrolidine]-1-yl)acetate.
What is the SMILES notation for tert-butyl 2-(5-chloro-2,2'-dioxospiro[indole-3,4'-pyrrolidine]-1-yl)acetate?
The canonical SMILES for tert-butyl 2-(5-chloro-2,2'-dioxospiro[indole-3,4'-pyrrolidine]-1-yl)acetate is CC(C)(C)OC(=O)CN1C(=O)C2(CNC(=O)C2)c2cc(Cl)ccc21.
What is the InChIKey of tert-butyl 2-(5-chloro-2,2'-dioxospiro[indole-3,4'-pyrrolidine]-1-yl)acetate?
The InChIKey is VTOMBXZKTOLYLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19ClN2O4/c1-16(2,3)24-14(22)8-20-12-5-4-10(18)6-11(12)17(15(20)23)7-13(21)19-9-17/h4-6H,7-9H2,1-3H3,(H,19,21).
What are the key properties of tert-butyl 2-(5-chloro-2,2'-dioxospiro[indole-3,4'-pyrrolidine]-1-yl)acetate?
tert-butyl 2-(5-chloro-2,2'-dioxospiro[indole-3,4'-pyrrolidine]-1-yl)acetate has a molecular weight of 350.80 g/mol, XLogP of 1.79, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 2-(5-chloro-2,2'-dioxospiro[indole-3,4'-pyrrolidine]-1-yl)acetate is sourced from PubChem (CID 24827314), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).