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

C15H15NO3 — CID 15956423

IUPACethyl (1'S,3S)-5-ethenyl-2-oxospiro[1H-indole-3,2'-cyclopropane]-1'-carboxylate
SMILESC=Cc1ccc2c(c1)[C@@]1(C[C@@H]1C(=O)OCC)C(=O)N2
InChIInChI=1S/C15H15NO3/c1-3-9-5-6-12-10(7-9)15(14(18)16-12)8-11(15)13(17)19-4-2/h3,5-7,11H,1,4,8H2,2H3,(H,16,18)/t11-,15-/m1/s1
InChIKeyMEVYIBCLUVDDTE-IAQYHMDHSA-N
MW257.29 g/mol
LogP2.10
Rot. Bonds3

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

ethyl (1'S,3S)-5-ethenyl-2-oxospiro[1H-indole-3,2'-cyclopropane]-1'-carboxylate (PubChem CID 15956423) has the molecular formula C15H15NO3 and a molecular weight of 257.29 g/mol. Its IUPAC name is ethyl (1'S,3S)-5-ethenyl-2-oxospiro[1H-indole-3,2'-cyclopropane]-1'-carboxylate.

Molecular Properties

Compound Nameethyl (1'S,3S)-5-ethenyl-2-oxospiro[1H-indole-3,2'-cyclopropane]-1'-carboxylate
PubChem CID15956423
Molecular FormulaC15H15NO3
Molecular Weight257.29 g/mol
Exact Mass257.11
IUPAC Nameethyl (1'S,3S)-5-ethenyl-2-oxospiro[1H-indole-3,2'-cyclopropane]-1'-carboxylate
SMILESC=Cc1ccc2c(c1)[C@@]1(C[C@@H]1C(=O)OCC)C(=O)N2
InChIInChI=1S/C15H15NO3/c1-3-9-5-6-12-10(7-9)15(14(18)16-12)8-11(15)13(17)19-4-2/h3,5-7,11H,1,4,8H2,2H3,(H,16,18)/t11-,15-/m1/s1
InChIKeyMEVYIBCLUVDDTE-IAQYHMDHSA-N
XLogP2.10
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.29
LogP ≤ 52.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of ethyl (1'S,3S)-5-ethenyl-2-oxospiro[1H-indole-3,2'-cyclopropane]-1'-carboxylate?
The IUPAC name of ethyl (1'S,3S)-5-ethenyl-2-oxospiro[1H-indole-3,2'-cyclopropane]-1'-carboxylate (CID 15956423) is ethyl (1'S,3S)-5-ethenyl-2-oxospiro[1H-indole-3,2'-cyclopropane]-1'-carboxylate.
What is the SMILES notation for ethyl (1'S,3S)-5-ethenyl-2-oxospiro[1H-indole-3,2'-cyclopropane]-1'-carboxylate?
The canonical SMILES for ethyl (1'S,3S)-5-ethenyl-2-oxospiro[1H-indole-3,2'-cyclopropane]-1'-carboxylate is C=Cc1ccc2c(c1)[C@@]1(C[C@@H]1C(=O)OCC)C(=O)N2.
What is the InChIKey of ethyl (1'S,3S)-5-ethenyl-2-oxospiro[1H-indole-3,2'-cyclopropane]-1'-carboxylate?
The InChIKey is MEVYIBCLUVDDTE-IAQYHMDHSA-N. The full InChI is InChI=1S/C15H15NO3/c1-3-9-5-6-12-10(7-9)15(14(18)16-12)8-11(15)13(17)19-4-2/h3,5-7,11H,1,4,8H2,2H3,(H,16,18)/t11-,15-/m1/s1.
What are the key properties of ethyl (1'S,3S)-5-ethenyl-2-oxospiro[1H-indole-3,2'-cyclopropane]-1'-carboxylate?
ethyl (1'S,3S)-5-ethenyl-2-oxospiro[1H-indole-3,2'-cyclopropane]-1'-carboxylate has a molecular weight of 257.29 g/mol, XLogP of 2.10, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl (1'S,3S)-5-ethenyl-2-oxospiro[1H-indole-3,2'-cyclopropane]-1'-carboxylate is sourced from PubChem (CID 15956423), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).