methyl 3-oxo-3',5'-diphenylspiro[1H-indene-2,4'-pyrrolidine]-2'-carboxylate

C26H23NO3 — CID 134849481

IUPACmethyl 3-oxo-3',5'-diphenylspiro[1H-indene-2,4'-pyrrolidine]-2'-carboxylate
SMILESCOC(=O)C1NC(c2ccccc2)C2(Cc3ccccc3C2=O)C1c1ccccc1
InChIInChI=1S/C26H23NO3/c1-30-25(29)22-21(17-10-4-2-5-11-17)26(23(27-22)18-12-6-3-7-13-18)16-19-14-8-9-15-20(19)24(26)28/h2-15,21-23,27H,16H2,1H3
InChIKeyAHWFKYCHOXYVRJ-UHFFFAOYSA-N
MW397.47 g/mol
LogP4.08
Rot. Bonds3

About methyl 3-oxo-3',5'-diphenylspiro[1H-indene-2,4'-pyrrolidine]-2'-carboxylate

methyl 3-oxo-3',5'-diphenylspiro[1H-indene-2,4'-pyrrolidine]-2'-carboxylate (PubChem CID 134849481) has the molecular formula C26H23NO3 and a molecular weight of 397.47 g/mol. Its IUPAC name is methyl 3-oxo-3',5'-diphenylspiro[1H-indene-2,4'-pyrrolidine]-2'-carboxylate.

Molecular Properties

Compound Namemethyl 3-oxo-3',5'-diphenylspiro[1H-indene-2,4'-pyrrolidine]-2'-carboxylate
PubChem CID134849481
Molecular FormulaC26H23NO3
Molecular Weight397.47 g/mol
Exact Mass397.17
IUPAC Namemethyl 3-oxo-3',5'-diphenylspiro[1H-indene-2,4'-pyrrolidine]-2'-carboxylate
SMILESCOC(=O)C1NC(c2ccccc2)C2(Cc3ccccc3C2=O)C1c1ccccc1
InChIInChI=1S/C26H23NO3/c1-30-25(29)22-21(17-10-4-2-5-11-17)26(23(27-22)18-12-6-3-7-13-18)16-19-14-8-9-15-20(19)24(26)28/h2-15,21-23,27H,16H2,1H3
InChIKeyAHWFKYCHOXYVRJ-UHFFFAOYSA-N
XLogP4.08
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.47
LogP ≤ 54.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze methyl 3-oxo-3',5'-diphenylspiro[1H-indene-2,4'-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 3-oxo-3',5'-diphenylspiro[1H-indene-2,4'-pyrrolidine]-2'-carboxylate?
The IUPAC name of methyl 3-oxo-3',5'-diphenylspiro[1H-indene-2,4'-pyrrolidine]-2'-carboxylate (CID 134849481) is methyl 3-oxo-3',5'-diphenylspiro[1H-indene-2,4'-pyrrolidine]-2'-carboxylate.
What is the SMILES notation for methyl 3-oxo-3',5'-diphenylspiro[1H-indene-2,4'-pyrrolidine]-2'-carboxylate?
The canonical SMILES for methyl 3-oxo-3',5'-diphenylspiro[1H-indene-2,4'-pyrrolidine]-2'-carboxylate is COC(=O)C1NC(c2ccccc2)C2(Cc3ccccc3C2=O)C1c1ccccc1.
What is the InChIKey of methyl 3-oxo-3',5'-diphenylspiro[1H-indene-2,4'-pyrrolidine]-2'-carboxylate?
The InChIKey is AHWFKYCHOXYVRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H23NO3/c1-30-25(29)22-21(17-10-4-2-5-11-17)26(23(27-22)18-12-6-3-7-13-18)16-19-14-8-9-15-20(19)24(26)28/h2-15,21-23,27H,16H2,1H3.
What are the key properties of methyl 3-oxo-3',5'-diphenylspiro[1H-indene-2,4'-pyrrolidine]-2'-carboxylate?
methyl 3-oxo-3',5'-diphenylspiro[1H-indene-2,4'-pyrrolidine]-2'-carboxylate has a molecular weight of 397.47 g/mol, XLogP of 4.08, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-oxo-3',5'-diphenylspiro[1H-indene-2,4'-pyrrolidine]-2'-carboxylate is sourced from PubChem (CID 134849481), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).