ethyl 1'-benzyl-2'-oxospiro[1,2,5,6,7,8-hexahydropyrrolizine-3,3'-indole]-2-carboxylate

C24H26N2O3 — CID 20967178

IUPACethyl 1'-benzyl-2'-oxospiro[1,2,5,6,7,8-hexahydropyrrolizine-3,3'-indole]-2-carboxylate
SMILESCCOC(=O)C1CC2CCCN2C12C(=O)N(Cc1ccccc1)c1ccccc12
InChIInChI=1S/C24H26N2O3/c1-2-29-22(27)20-15-18-11-8-14-26(18)24(20)19-12-6-7-13-21(19)25(23(24)28)16-17-9-4-3-5-10-17/h3-7,9-10,12-13,18,20H,2,8,11,14-16H2,1H3
InChIKeyJSPQCGNBGKHZMJ-UHFFFAOYSA-N
MW390.48 g/mol
LogP3.48
Rot. Bonds4

About ethyl 1'-benzyl-2'-oxospiro[1,2,5,6,7,8-hexahydropyrrolizine-3,3'-indole]-2-carboxylate

ethyl 1'-benzyl-2'-oxospiro[1,2,5,6,7,8-hexahydropyrrolizine-3,3'-indole]-2-carboxylate (PubChem CID 20967178) has the molecular formula C24H26N2O3 and a molecular weight of 390.48 g/mol. Its IUPAC name is ethyl 1'-benzyl-2'-oxospiro[1,2,5,6,7,8-hexahydropyrrolizine-3,3'-indole]-2-carboxylate.

Molecular Properties

Compound Nameethyl 1'-benzyl-2'-oxospiro[1,2,5,6,7,8-hexahydropyrrolizine-3,3'-indole]-2-carboxylate
PubChem CID20967178
Molecular FormulaC24H26N2O3
Molecular Weight390.48 g/mol
Exact Mass390.19
IUPAC Nameethyl 1'-benzyl-2'-oxospiro[1,2,5,6,7,8-hexahydropyrrolizine-3,3'-indole]-2-carboxylate
SMILESCCOC(=O)C1CC2CCCN2C12C(=O)N(Cc1ccccc1)c1ccccc12
InChIInChI=1S/C24H26N2O3/c1-2-29-22(27)20-15-18-11-8-14-26(18)24(20)19-12-6-7-13-21(19)25(23(24)28)16-17-9-4-3-5-10-17/h3-7,9-10,12-13,18,20H,2,8,11,14-16H2,1H3
InChIKeyJSPQCGNBGKHZMJ-UHFFFAOYSA-N
XLogP3.48
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.48
LogP ≤ 53.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze ethyl 1'-benzyl-2'-oxospiro[1,2,5,6,7,8-hexahydropyrrolizine-3,3'-indole]-2-carboxylate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of ethyl 1'-benzyl-2'-oxospiro[1,2,5,6,7,8-hexahydropyrrolizine-3,3'-indole]-2-carboxylate?
The IUPAC name of ethyl 1'-benzyl-2'-oxospiro[1,2,5,6,7,8-hexahydropyrrolizine-3,3'-indole]-2-carboxylate (CID 20967178) is ethyl 1'-benzyl-2'-oxospiro[1,2,5,6,7,8-hexahydropyrrolizine-3,3'-indole]-2-carboxylate.
What is the SMILES notation for ethyl 1'-benzyl-2'-oxospiro[1,2,5,6,7,8-hexahydropyrrolizine-3,3'-indole]-2-carboxylate?
The canonical SMILES for ethyl 1'-benzyl-2'-oxospiro[1,2,5,6,7,8-hexahydropyrrolizine-3,3'-indole]-2-carboxylate is CCOC(=O)C1CC2CCCN2C12C(=O)N(Cc1ccccc1)c1ccccc12.
What is the InChIKey of ethyl 1'-benzyl-2'-oxospiro[1,2,5,6,7,8-hexahydropyrrolizine-3,3'-indole]-2-carboxylate?
The InChIKey is JSPQCGNBGKHZMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26N2O3/c1-2-29-22(27)20-15-18-11-8-14-26(18)24(20)19-12-6-7-13-21(19)25(23(24)28)16-17-9-4-3-5-10-17/h3-7,9-10,12-13,18,20H,2,8,11,14-16H2,1H3.
What are the key properties of ethyl 1'-benzyl-2'-oxospiro[1,2,5,6,7,8-hexahydropyrrolizine-3,3'-indole]-2-carboxylate?
ethyl 1'-benzyl-2'-oxospiro[1,2,5,6,7,8-hexahydropyrrolizine-3,3'-indole]-2-carboxylate has a molecular weight of 390.48 g/mol, XLogP of 3.48, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 1'-benzyl-2'-oxospiro[1,2,5,6,7,8-hexahydropyrrolizine-3,3'-indole]-2-carboxylate is sourced from PubChem (CID 20967178), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).