ethyl 6-bromo-5'-oxospiro[1,2-dihydroindene-3,3'-pyrrolidine]-2'-carboxylate

C15H16BrNO3 — CID 105360270

IUPACethyl 6-bromo-5'-oxospiro[1,2-dihydroindene-3,3'-pyrrolidine]-2'-carboxylate
SMILESCCOC(=O)C1NC(=O)CC12CCc1cc(Br)ccc12
InChIInChI=1S/C15H16BrNO3/c1-2-20-14(19)13-15(8-12(18)17-13)6-5-9-7-10(16)3-4-11(9)15/h3-4,7,13H,2,5-6,8H2,1H3,(H,17,18)
InChIKeyKDPBTXFOQICHKC-UHFFFAOYSA-N
MW338.20 g/mol
LogP2.08
Rot. Bonds2

About ethyl 6-bromo-5'-oxospiro[1,2-dihydroindene-3,3'-pyrrolidine]-2'-carboxylate

ethyl 6-bromo-5'-oxospiro[1,2-dihydroindene-3,3'-pyrrolidine]-2'-carboxylate (PubChem CID 105360270) has the molecular formula C15H16BrNO3 and a molecular weight of 338.20 g/mol. Its IUPAC name is ethyl 6-bromo-5'-oxospiro[1,2-dihydroindene-3,3'-pyrrolidine]-2'-carboxylate.

Molecular Properties

Compound Nameethyl 6-bromo-5'-oxospiro[1,2-dihydroindene-3,3'-pyrrolidine]-2'-carboxylate
PubChem CID105360270
Molecular FormulaC15H16BrNO3
Molecular Weight338.20 g/mol
Exact Mass337.03
IUPAC Nameethyl 6-bromo-5'-oxospiro[1,2-dihydroindene-3,3'-pyrrolidine]-2'-carboxylate
SMILESCCOC(=O)C1NC(=O)CC12CCc1cc(Br)ccc12
InChIInChI=1S/C15H16BrNO3/c1-2-20-14(19)13-15(8-12(18)17-13)6-5-9-7-10(16)3-4-11(9)15/h3-4,7,13H,2,5-6,8H2,1H3,(H,17,18)
InChIKeyKDPBTXFOQICHKC-UHFFFAOYSA-N
XLogP2.08
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.20
LogP ≤ 52.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of ethyl 6-bromo-5'-oxospiro[1,2-dihydroindene-3,3'-pyrrolidine]-2'-carboxylate?
The IUPAC name of ethyl 6-bromo-5'-oxospiro[1,2-dihydroindene-3,3'-pyrrolidine]-2'-carboxylate (CID 105360270) is ethyl 6-bromo-5'-oxospiro[1,2-dihydroindene-3,3'-pyrrolidine]-2'-carboxylate.
What is the SMILES notation for ethyl 6-bromo-5'-oxospiro[1,2-dihydroindene-3,3'-pyrrolidine]-2'-carboxylate?
The canonical SMILES for ethyl 6-bromo-5'-oxospiro[1,2-dihydroindene-3,3'-pyrrolidine]-2'-carboxylate is CCOC(=O)C1NC(=O)CC12CCc1cc(Br)ccc12.
What is the InChIKey of ethyl 6-bromo-5'-oxospiro[1,2-dihydroindene-3,3'-pyrrolidine]-2'-carboxylate?
The InChIKey is KDPBTXFOQICHKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16BrNO3/c1-2-20-14(19)13-15(8-12(18)17-13)6-5-9-7-10(16)3-4-11(9)15/h3-4,7,13H,2,5-6,8H2,1H3,(H,17,18).
What are the key properties of ethyl 6-bromo-5'-oxospiro[1,2-dihydroindene-3,3'-pyrrolidine]-2'-carboxylate?
ethyl 6-bromo-5'-oxospiro[1,2-dihydroindene-3,3'-pyrrolidine]-2'-carboxylate has a molecular weight of 338.20 g/mol, XLogP of 2.08, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 6-bromo-5'-oxospiro[1,2-dihydroindene-3,3'-pyrrolidine]-2'-carboxylate is sourced from PubChem (CID 105360270), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).