ethyl (1'R,3R,3'R)-2-oxo-3'-pyridin-3-ylspiro[1H-indole-3,2'-cyclopropane]-1'-carboxylate

C18H16N2O3 — CID 102153182

IUPACethyl (1'R,3R,3'R)-2-oxo-3'-pyridin-3-ylspiro[1H-indole-3,2'-cyclopropane]-1'-carboxylate
SMILESCCOC(=O)[C@@H]1[C@H](c2cccnc2)[C@@]12C(=O)Nc1ccccc12
InChIInChI=1S/C18H16N2O3/c1-2-23-16(21)15-14(11-6-5-9-19-10-11)18(15)12-7-3-4-8-13(12)20-17(18)22/h3-10,14-15H,2H2,1H3,(H,20,22)/t14-,15-,18+/m0/s1
InChIKeyLMOHMXWPLCMWCC-RLFYNMQTSA-N
MW308.34 g/mol
LogP2.25
Rot. Bonds3

About ethyl (1'R,3R,3'R)-2-oxo-3'-pyridin-3-ylspiro[1H-indole-3,2'-cyclopropane]-1'-carboxylate

ethyl (1'R,3R,3'R)-2-oxo-3'-pyridin-3-ylspiro[1H-indole-3,2'-cyclopropane]-1'-carboxylate (PubChem CID 102153182) has the molecular formula C18H16N2O3 and a molecular weight of 308.34 g/mol. Its IUPAC name is ethyl (1'R,3R,3'R)-2-oxo-3'-pyridin-3-ylspiro[1H-indole-3,2'-cyclopropane]-1'-carboxylate.

Molecular Properties

Compound Nameethyl (1'R,3R,3'R)-2-oxo-3'-pyridin-3-ylspiro[1H-indole-3,2'-cyclopropane]-1'-carboxylate
PubChem CID102153182
Molecular FormulaC18H16N2O3
Molecular Weight308.34 g/mol
Exact Mass308.12
IUPAC Nameethyl (1'R,3R,3'R)-2-oxo-3'-pyridin-3-ylspiro[1H-indole-3,2'-cyclopropane]-1'-carboxylate
SMILESCCOC(=O)[C@@H]1[C@H](c2cccnc2)[C@@]12C(=O)Nc1ccccc12
InChIInChI=1S/C18H16N2O3/c1-2-23-16(21)15-14(11-6-5-9-19-10-11)18(15)12-7-3-4-8-13(12)20-17(18)22/h3-10,14-15H,2H2,1H3,(H,20,22)/t14-,15-,18+/m0/s1
InChIKeyLMOHMXWPLCMWCC-RLFYNMQTSA-N
XLogP2.25
TPSA68.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.34
LogP ≤ 52.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze ethyl (1'R,3R,3'R)-2-oxo-3'-pyridin-3-ylspiro[1H-indole-3,2'-cyclopropane]-1'-carboxylate with MolForge

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Frequently Asked Questions

What is the IUPAC name of ethyl (1'R,3R,3'R)-2-oxo-3'-pyridin-3-ylspiro[1H-indole-3,2'-cyclopropane]-1'-carboxylate?
The IUPAC name of ethyl (1'R,3R,3'R)-2-oxo-3'-pyridin-3-ylspiro[1H-indole-3,2'-cyclopropane]-1'-carboxylate (CID 102153182) is ethyl (1'R,3R,3'R)-2-oxo-3'-pyridin-3-ylspiro[1H-indole-3,2'-cyclopropane]-1'-carboxylate.
What is the SMILES notation for ethyl (1'R,3R,3'R)-2-oxo-3'-pyridin-3-ylspiro[1H-indole-3,2'-cyclopropane]-1'-carboxylate?
The canonical SMILES for ethyl (1'R,3R,3'R)-2-oxo-3'-pyridin-3-ylspiro[1H-indole-3,2'-cyclopropane]-1'-carboxylate is CCOC(=O)[C@@H]1[C@H](c2cccnc2)[C@@]12C(=O)Nc1ccccc12.
What is the InChIKey of ethyl (1'R,3R,3'R)-2-oxo-3'-pyridin-3-ylspiro[1H-indole-3,2'-cyclopropane]-1'-carboxylate?
The InChIKey is LMOHMXWPLCMWCC-RLFYNMQTSA-N. The full InChI is InChI=1S/C18H16N2O3/c1-2-23-16(21)15-14(11-6-5-9-19-10-11)18(15)12-7-3-4-8-13(12)20-17(18)22/h3-10,14-15H,2H2,1H3,(H,20,22)/t14-,15-,18+/m0/s1.
What are the key properties of ethyl (1'R,3R,3'R)-2-oxo-3'-pyridin-3-ylspiro[1H-indole-3,2'-cyclopropane]-1'-carboxylate?
ethyl (1'R,3R,3'R)-2-oxo-3'-pyridin-3-ylspiro[1H-indole-3,2'-cyclopropane]-1'-carboxylate has a molecular weight of 308.34 g/mol, XLogP of 2.25, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl (1'R,3R,3'R)-2-oxo-3'-pyridin-3-ylspiro[1H-indole-3,2'-cyclopropane]-1'-carboxylate is sourced from PubChem (CID 102153182), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).