(2S,3S,8R)-1'-methyl-N-(4-methylphenyl)-2'-oxospiro[1,2,5,6,7,8-hexahydropyrrolizine-3,3'-indole]-2-carboxamide

C23H25N3O2 — CID 86771857

IUPAC(2S,3S,8R)-1'-methyl-N-(4-methylphenyl)-2'-oxospiro[1,2,5,6,7,8-hexahydropyrrolizine-3,3'-indole]-2-carboxamide
SMILESCc1ccc(NC(=O)[C@H]2C[C@H]3CCCN3[C@@]23C(=O)N(C)c2ccccc23)cc1
InChIInChI=1S/C23H25N3O2/c1-15-9-11-16(12-10-15)24-21(27)19-14-17-6-5-13-26(17)23(19)18-7-3-4-8-20(18)25(2)22(23)28/h3-4,7-12,17,19H,5-6,13-14H2,1-2H3,(H,24,27)/t17-,19-,23-/m1/s1
InChIKeyXNNXNVWDVGSRNN-LYHRCORUSA-N
MW375.47 g/mol
LogP3.29
Rot. Bonds2

About (2S,3S,8R)-1'-methyl-N-(4-methylphenyl)-2'-oxospiro[1,2,5,6,7,8-hexahydropyrrolizine-3,3'-indole]-2-carboxamide

(2S,3S,8R)-1'-methyl-N-(4-methylphenyl)-2'-oxospiro[1,2,5,6,7,8-hexahydropyrrolizine-3,3'-indole]-2-carboxamide (PubChem CID 86771857) has the molecular formula C23H25N3O2 and a molecular weight of 375.47 g/mol. Its IUPAC name is (2S,3S,8R)-1'-methyl-N-(4-methylphenyl)-2'-oxospiro[1,2,5,6,7,8-hexahydropyrrolizine-3,3'-indole]-2-carboxamide.

Molecular Properties

Compound Name(2S,3S,8R)-1'-methyl-N-(4-methylphenyl)-2'-oxospiro[1,2,5,6,7,8-hexahydropyrrolizine-3,3'-indole]-2-carboxamide
PubChem CID86771857
Molecular FormulaC23H25N3O2
Molecular Weight375.47 g/mol
Exact Mass375.19
IUPAC Name(2S,3S,8R)-1'-methyl-N-(4-methylphenyl)-2'-oxospiro[1,2,5,6,7,8-hexahydropyrrolizine-3,3'-indole]-2-carboxamide
SMILESCc1ccc(NC(=O)[C@H]2C[C@H]3CCCN3[C@@]23C(=O)N(C)c2ccccc23)cc1
InChIInChI=1S/C23H25N3O2/c1-15-9-11-16(12-10-15)24-21(27)19-14-17-6-5-13-26(17)23(19)18-7-3-4-8-20(18)25(2)22(23)28/h3-4,7-12,17,19H,5-6,13-14H2,1-2H3,(H,24,27)/t17-,19-,23-/m1/s1
InChIKeyXNNXNVWDVGSRNN-LYHRCORUSA-N
XLogP3.29
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.47
LogP ≤ 53.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze (2S,3S,8R)-1'-methyl-N-(4-methylphenyl)-2'-oxospiro[1,2,5,6,7,8-hexahydropyrrolizine-3,3'-indole]-2-carboxamide 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 (2S,3S,8R)-1'-methyl-N-(4-methylphenyl)-2'-oxospiro[1,2,5,6,7,8-hexahydropyrrolizine-3,3'-indole]-2-carboxamide?
The IUPAC name of (2S,3S,8R)-1'-methyl-N-(4-methylphenyl)-2'-oxospiro[1,2,5,6,7,8-hexahydropyrrolizine-3,3'-indole]-2-carboxamide (CID 86771857) is (2S,3S,8R)-1'-methyl-N-(4-methylphenyl)-2'-oxospiro[1,2,5,6,7,8-hexahydropyrrolizine-3,3'-indole]-2-carboxamide.
What is the SMILES notation for (2S,3S,8R)-1'-methyl-N-(4-methylphenyl)-2'-oxospiro[1,2,5,6,7,8-hexahydropyrrolizine-3,3'-indole]-2-carboxamide?
The canonical SMILES for (2S,3S,8R)-1'-methyl-N-(4-methylphenyl)-2'-oxospiro[1,2,5,6,7,8-hexahydropyrrolizine-3,3'-indole]-2-carboxamide is Cc1ccc(NC(=O)[C@H]2C[C@H]3CCCN3[C@@]23C(=O)N(C)c2ccccc23)cc1.
What is the InChIKey of (2S,3S,8R)-1'-methyl-N-(4-methylphenyl)-2'-oxospiro[1,2,5,6,7,8-hexahydropyrrolizine-3,3'-indole]-2-carboxamide?
The InChIKey is XNNXNVWDVGSRNN-LYHRCORUSA-N. The full InChI is InChI=1S/C23H25N3O2/c1-15-9-11-16(12-10-15)24-21(27)19-14-17-6-5-13-26(17)23(19)18-7-3-4-8-20(18)25(2)22(23)28/h3-4,7-12,17,19H,5-6,13-14H2,1-2H3,(H,24,27)/t17-,19-,23-/m1/s1.
What are the key properties of (2S,3S,8R)-1'-methyl-N-(4-methylphenyl)-2'-oxospiro[1,2,5,6,7,8-hexahydropyrrolizine-3,3'-indole]-2-carboxamide?
(2S,3S,8R)-1'-methyl-N-(4-methylphenyl)-2'-oxospiro[1,2,5,6,7,8-hexahydropyrrolizine-3,3'-indole]-2-carboxamide has a molecular weight of 375.47 g/mol, XLogP of 3.29, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3S,8R)-1'-methyl-N-(4-methylphenyl)-2'-oxospiro[1,2,5,6,7,8-hexahydropyrrolizine-3,3'-indole]-2-carboxamide is sourced from PubChem (CID 86771857), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).