ethyl (1'S,3S)-5-(furan-2-yl)-2-oxospiro[1H-indole-3,2'-cyclopropane]-1'-carboxylate

C17H15NO4 — CID 15956425

IUPACethyl (1'S,3S)-5-(furan-2-yl)-2-oxospiro[1H-indole-3,2'-cyclopropane]-1'-carboxylate
SMILESCCOC(=O)[C@H]1C[C@]12C(=O)Nc1ccc(-c3ccco3)cc12
InChIInChI=1S/C17H15NO4/c1-2-21-15(19)12-9-17(12)11-8-10(14-4-3-7-22-14)5-6-13(11)18-16(17)20/h3-8,12H,2,9H2,1H3,(H,18,20)/t12-,17-/m1/s1
InChIKeyAFJKGCMRAXGWHL-SJKOYZFVSA-N
MW297.31 g/mol
LogP2.72
Rot. Bonds3

About ethyl (1'S,3S)-5-(furan-2-yl)-2-oxospiro[1H-indole-3,2'-cyclopropane]-1'-carboxylate

ethyl (1'S,3S)-5-(furan-2-yl)-2-oxospiro[1H-indole-3,2'-cyclopropane]-1'-carboxylate (PubChem CID 15956425) has the molecular formula C17H15NO4 and a molecular weight of 297.31 g/mol. Its IUPAC name is ethyl (1'S,3S)-5-(furan-2-yl)-2-oxospiro[1H-indole-3,2'-cyclopropane]-1'-carboxylate.

Molecular Properties

Compound Nameethyl (1'S,3S)-5-(furan-2-yl)-2-oxospiro[1H-indole-3,2'-cyclopropane]-1'-carboxylate
PubChem CID15956425
Molecular FormulaC17H15NO4
Molecular Weight297.31 g/mol
Exact Mass297.10
IUPAC Nameethyl (1'S,3S)-5-(furan-2-yl)-2-oxospiro[1H-indole-3,2'-cyclopropane]-1'-carboxylate
SMILESCCOC(=O)[C@H]1C[C@]12C(=O)Nc1ccc(-c3ccco3)cc12
InChIInChI=1S/C17H15NO4/c1-2-21-15(19)12-9-17(12)11-8-10(14-4-3-7-22-14)5-6-13(11)18-16(17)20/h3-8,12H,2,9H2,1H3,(H,18,20)/t12-,17-/m1/s1
InChIKeyAFJKGCMRAXGWHL-SJKOYZFVSA-N
XLogP2.72
TPSA68.54 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.31
LogP ≤ 52.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of ethyl (1'S,3S)-5-(furan-2-yl)-2-oxospiro[1H-indole-3,2'-cyclopropane]-1'-carboxylate?
The IUPAC name of ethyl (1'S,3S)-5-(furan-2-yl)-2-oxospiro[1H-indole-3,2'-cyclopropane]-1'-carboxylate (CID 15956425) is ethyl (1'S,3S)-5-(furan-2-yl)-2-oxospiro[1H-indole-3,2'-cyclopropane]-1'-carboxylate.
What is the SMILES notation for ethyl (1'S,3S)-5-(furan-2-yl)-2-oxospiro[1H-indole-3,2'-cyclopropane]-1'-carboxylate?
The canonical SMILES for ethyl (1'S,3S)-5-(furan-2-yl)-2-oxospiro[1H-indole-3,2'-cyclopropane]-1'-carboxylate is CCOC(=O)[C@H]1C[C@]12C(=O)Nc1ccc(-c3ccco3)cc12.
What is the InChIKey of ethyl (1'S,3S)-5-(furan-2-yl)-2-oxospiro[1H-indole-3,2'-cyclopropane]-1'-carboxylate?
The InChIKey is AFJKGCMRAXGWHL-SJKOYZFVSA-N. The full InChI is InChI=1S/C17H15NO4/c1-2-21-15(19)12-9-17(12)11-8-10(14-4-3-7-22-14)5-6-13(11)18-16(17)20/h3-8,12H,2,9H2,1H3,(H,18,20)/t12-,17-/m1/s1.
What are the key properties of ethyl (1'S,3S)-5-(furan-2-yl)-2-oxospiro[1H-indole-3,2'-cyclopropane]-1'-carboxylate?
ethyl (1'S,3S)-5-(furan-2-yl)-2-oxospiro[1H-indole-3,2'-cyclopropane]-1'-carboxylate has a molecular weight of 297.31 g/mol, XLogP of 2.72, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl (1'S,3S)-5-(furan-2-yl)-2-oxospiro[1H-indole-3,2'-cyclopropane]-1'-carboxylate is sourced from PubChem (CID 15956425), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).