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

C14H15NO3 — CID 15956412

IUPACethyl (1'S,3S)-5-methyl-2-oxospiro[1H-indole-3,2'-cyclopropane]-1'-carboxylate
SMILESCCOC(=O)[C@H]1C[C@]12C(=O)Nc1ccc(C)cc12
InChIInChI=1S/C14H15NO3/c1-3-18-12(16)10-7-14(10)9-6-8(2)4-5-11(9)15-13(14)17/h4-6,10H,3,7H2,1-2H3,(H,15,17)/t10-,14-/m1/s1
InChIKeyFYCIJRTVEASZOU-QMTHXVAHSA-N
MW245.28 g/mol
LogP1.77
Rot. Bonds2

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

ethyl (1'S,3S)-5-methyl-2-oxospiro[1H-indole-3,2'-cyclopropane]-1'-carboxylate (PubChem CID 15956412) has the molecular formula C14H15NO3 and a molecular weight of 245.28 g/mol. Its IUPAC name is ethyl (1'S,3S)-5-methyl-2-oxospiro[1H-indole-3,2'-cyclopropane]-1'-carboxylate.

Molecular Properties

Compound Nameethyl (1'S,3S)-5-methyl-2-oxospiro[1H-indole-3,2'-cyclopropane]-1'-carboxylate
PubChem CID15956412
Molecular FormulaC14H15NO3
Molecular Weight245.28 g/mol
Exact Mass245.11
IUPAC Nameethyl (1'S,3S)-5-methyl-2-oxospiro[1H-indole-3,2'-cyclopropane]-1'-carboxylate
SMILESCCOC(=O)[C@H]1C[C@]12C(=O)Nc1ccc(C)cc12
InChIInChI=1S/C14H15NO3/c1-3-18-12(16)10-7-14(10)9-6-8(2)4-5-11(9)15-13(14)17/h4-6,10H,3,7H2,1-2H3,(H,15,17)/t10-,14-/m1/s1
InChIKeyFYCIJRTVEASZOU-QMTHXVAHSA-N
XLogP1.77
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.28
LogP ≤ 51.77
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-methyl-2-oxospiro[1H-indole-3,2'-cyclopropane]-1'-carboxylate?
The IUPAC name of ethyl (1'S,3S)-5-methyl-2-oxospiro[1H-indole-3,2'-cyclopropane]-1'-carboxylate (CID 15956412) is ethyl (1'S,3S)-5-methyl-2-oxospiro[1H-indole-3,2'-cyclopropane]-1'-carboxylate.
What is the SMILES notation for ethyl (1'S,3S)-5-methyl-2-oxospiro[1H-indole-3,2'-cyclopropane]-1'-carboxylate?
The canonical SMILES for ethyl (1'S,3S)-5-methyl-2-oxospiro[1H-indole-3,2'-cyclopropane]-1'-carboxylate is CCOC(=O)[C@H]1C[C@]12C(=O)Nc1ccc(C)cc12.
What is the InChIKey of ethyl (1'S,3S)-5-methyl-2-oxospiro[1H-indole-3,2'-cyclopropane]-1'-carboxylate?
The InChIKey is FYCIJRTVEASZOU-QMTHXVAHSA-N. The full InChI is InChI=1S/C14H15NO3/c1-3-18-12(16)10-7-14(10)9-6-8(2)4-5-11(9)15-13(14)17/h4-6,10H,3,7H2,1-2H3,(H,15,17)/t10-,14-/m1/s1.
What are the key properties of ethyl (1'S,3S)-5-methyl-2-oxospiro[1H-indole-3,2'-cyclopropane]-1'-carboxylate?
ethyl (1'S,3S)-5-methyl-2-oxospiro[1H-indole-3,2'-cyclopropane]-1'-carboxylate has a molecular weight of 245.28 g/mol, XLogP of 1.77, 2 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-methyl-2-oxospiro[1H-indole-3,2'-cyclopropane]-1'-carboxylate is sourced from PubChem (CID 15956412), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).