methyl (2'R,3R,3'R,5'R)-4-oxo-3',5'-diphenylspiro[1,2-dihydronaphthalene-3,4'-pyrrolidine]-2'-carboxylate

C27H25NO3 — CID 162401682

IUPACmethyl (2'R,3R,3'R,5'R)-4-oxo-3',5'-diphenylspiro[1,2-dihydronaphthalene-3,4'-pyrrolidine]-2'-carboxylate
SMILESCOC(=O)[C@@H]1N[C@H](c2ccccc2)[C@@]2(CCc3ccccc3C2=O)[C@H]1c1ccccc1
InChIInChI=1S/C27H25NO3/c1-31-26(30)23-22(19-11-4-2-5-12-19)27(24(28-23)20-13-6-3-7-14-20)17-16-18-10-8-9-15-21(18)25(27)29/h2-15,22-24,28H,16-17H2,1H3/t22-,23+,24+,27+/m0/s1
InChIKeyRIBRDRFOXUTWCA-ZOJNDGCKSA-N
MW411.50 g/mol
LogP4.47
Rot. Bonds3

About methyl (2'R,3R,3'R,5'R)-4-oxo-3',5'-diphenylspiro[1,2-dihydronaphthalene-3,4'-pyrrolidine]-2'-carboxylate

methyl (2'R,3R,3'R,5'R)-4-oxo-3',5'-diphenylspiro[1,2-dihydronaphthalene-3,4'-pyrrolidine]-2'-carboxylate (PubChem CID 162401682) has the molecular formula C27H25NO3 and a molecular weight of 411.50 g/mol. Its IUPAC name is methyl (2'R,3R,3'R,5'R)-4-oxo-3',5'-diphenylspiro[1,2-dihydronaphthalene-3,4'-pyrrolidine]-2'-carboxylate.

Molecular Properties

Compound Namemethyl (2'R,3R,3'R,5'R)-4-oxo-3',5'-diphenylspiro[1,2-dihydronaphthalene-3,4'-pyrrolidine]-2'-carboxylate
PubChem CID162401682
Molecular FormulaC27H25NO3
Molecular Weight411.50 g/mol
Exact Mass411.18
IUPAC Namemethyl (2'R,3R,3'R,5'R)-4-oxo-3',5'-diphenylspiro[1,2-dihydronaphthalene-3,4'-pyrrolidine]-2'-carboxylate
SMILESCOC(=O)[C@@H]1N[C@H](c2ccccc2)[C@@]2(CCc3ccccc3C2=O)[C@H]1c1ccccc1
InChIInChI=1S/C27H25NO3/c1-31-26(30)23-22(19-11-4-2-5-12-19)27(24(28-23)20-13-6-3-7-14-20)17-16-18-10-8-9-15-21(18)25(27)29/h2-15,22-24,28H,16-17H2,1H3/t22-,23+,24+,27+/m0/s1
InChIKeyRIBRDRFOXUTWCA-ZOJNDGCKSA-N
XLogP4.47
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.50
LogP ≤ 54.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze methyl (2'R,3R,3'R,5'R)-4-oxo-3',5'-diphenylspiro[1,2-dihydronaphthalene-3,4'-pyrrolidine]-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 methyl (2'R,3R,3'R,5'R)-4-oxo-3',5'-diphenylspiro[1,2-dihydronaphthalene-3,4'-pyrrolidine]-2'-carboxylate?
The IUPAC name of methyl (2'R,3R,3'R,5'R)-4-oxo-3',5'-diphenylspiro[1,2-dihydronaphthalene-3,4'-pyrrolidine]-2'-carboxylate (CID 162401682) is methyl (2'R,3R,3'R,5'R)-4-oxo-3',5'-diphenylspiro[1,2-dihydronaphthalene-3,4'-pyrrolidine]-2'-carboxylate.
What is the SMILES notation for methyl (2'R,3R,3'R,5'R)-4-oxo-3',5'-diphenylspiro[1,2-dihydronaphthalene-3,4'-pyrrolidine]-2'-carboxylate?
The canonical SMILES for methyl (2'R,3R,3'R,5'R)-4-oxo-3',5'-diphenylspiro[1,2-dihydronaphthalene-3,4'-pyrrolidine]-2'-carboxylate is COC(=O)[C@@H]1N[C@H](c2ccccc2)[C@@]2(CCc3ccccc3C2=O)[C@H]1c1ccccc1.
What is the InChIKey of methyl (2'R,3R,3'R,5'R)-4-oxo-3',5'-diphenylspiro[1,2-dihydronaphthalene-3,4'-pyrrolidine]-2'-carboxylate?
The InChIKey is RIBRDRFOXUTWCA-ZOJNDGCKSA-N. The full InChI is InChI=1S/C27H25NO3/c1-31-26(30)23-22(19-11-4-2-5-12-19)27(24(28-23)20-13-6-3-7-14-20)17-16-18-10-8-9-15-21(18)25(27)29/h2-15,22-24,28H,16-17H2,1H3/t22-,23+,24+,27+/m0/s1.
What are the key properties of methyl (2'R,3R,3'R,5'R)-4-oxo-3',5'-diphenylspiro[1,2-dihydronaphthalene-3,4'-pyrrolidine]-2'-carboxylate?
methyl (2'R,3R,3'R,5'R)-4-oxo-3',5'-diphenylspiro[1,2-dihydronaphthalene-3,4'-pyrrolidine]-2'-carboxylate has a molecular weight of 411.50 g/mol, XLogP of 4.47, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (2'R,3R,3'R,5'R)-4-oxo-3',5'-diphenylspiro[1,2-dihydronaphthalene-3,4'-pyrrolidine]-2'-carboxylate is sourced from PubChem (CID 162401682), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).