ethyl 2-(5'-bromo-2'-oxospiro[1,3-dioxane-2,3'-indole]-1'-yl)acetate

C15H16BrNO5 — CID 1110230

IUPACethyl 2-(5'-bromo-2'-oxospiro[1,3-dioxane-2,3'-indole]-1'-yl)acetate
SMILESCCOC(=O)CN1C(=O)C2(OCCCO2)c2cc(Br)ccc21
InChIInChI=1S/C15H16BrNO5/c1-2-20-13(18)9-17-12-5-4-10(16)8-11(12)15(14(17)19)21-6-3-7-22-15/h4-5,8H,2-3,6-7,9H2,1H3
InChIKeyDKFZDXXUXMQHKW-UHFFFAOYSA-N
MW370.20 g/mol
LogP1.95
Rot. Bonds3

About ethyl 2-(5'-bromo-2'-oxospiro[1,3-dioxane-2,3'-indole]-1'-yl)acetate

ethyl 2-(5'-bromo-2'-oxospiro[1,3-dioxane-2,3'-indole]-1'-yl)acetate (PubChem CID 1110230) has the molecular formula C15H16BrNO5 and a molecular weight of 370.20 g/mol. Its IUPAC name is ethyl 2-(5'-bromo-2'-oxospiro[1,3-dioxane-2,3'-indole]-1'-yl)acetate.

Molecular Properties

Compound Nameethyl 2-(5'-bromo-2'-oxospiro[1,3-dioxane-2,3'-indole]-1'-yl)acetate
PubChem CID1110230
Molecular FormulaC15H16BrNO5
Molecular Weight370.20 g/mol
Exact Mass369.02
IUPAC Nameethyl 2-(5'-bromo-2'-oxospiro[1,3-dioxane-2,3'-indole]-1'-yl)acetate
SMILESCCOC(=O)CN1C(=O)C2(OCCCO2)c2cc(Br)ccc21
InChIInChI=1S/C15H16BrNO5/c1-2-20-13(18)9-17-12-5-4-10(16)8-11(12)15(14(17)19)21-6-3-7-22-15/h4-5,8H,2-3,6-7,9H2,1H3
InChIKeyDKFZDXXUXMQHKW-UHFFFAOYSA-N
XLogP1.95
TPSA65.07 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.20
LogP ≤ 51.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of ethyl 2-(5'-bromo-2'-oxospiro[1,3-dioxane-2,3'-indole]-1'-yl)acetate?
The IUPAC name of ethyl 2-(5'-bromo-2'-oxospiro[1,3-dioxane-2,3'-indole]-1'-yl)acetate (CID 1110230) is ethyl 2-(5'-bromo-2'-oxospiro[1,3-dioxane-2,3'-indole]-1'-yl)acetate.
What is the SMILES notation for ethyl 2-(5'-bromo-2'-oxospiro[1,3-dioxane-2,3'-indole]-1'-yl)acetate?
The canonical SMILES for ethyl 2-(5'-bromo-2'-oxospiro[1,3-dioxane-2,3'-indole]-1'-yl)acetate is CCOC(=O)CN1C(=O)C2(OCCCO2)c2cc(Br)ccc21.
What is the InChIKey of ethyl 2-(5'-bromo-2'-oxospiro[1,3-dioxane-2,3'-indole]-1'-yl)acetate?
The InChIKey is DKFZDXXUXMQHKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16BrNO5/c1-2-20-13(18)9-17-12-5-4-10(16)8-11(12)15(14(17)19)21-6-3-7-22-15/h4-5,8H,2-3,6-7,9H2,1H3.
What are the key properties of ethyl 2-(5'-bromo-2'-oxospiro[1,3-dioxane-2,3'-indole]-1'-yl)acetate?
ethyl 2-(5'-bromo-2'-oxospiro[1,3-dioxane-2,3'-indole]-1'-yl)acetate has a molecular weight of 370.20 g/mol, XLogP of 1.95, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(5'-bromo-2'-oxospiro[1,3-dioxane-2,3'-indole]-1'-yl)acetate is sourced from PubChem (CID 1110230), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).