chroman-4'-one-3'-spiro-3-N-methyl-4-phenyl-pyrrolidine-2-spiro-3"-oxindole

C26H22N2O3 — CID 3715139

IUPAC—
SMILESCN1CC(c2ccccc2)C2(COc3ccccc3C2=O)C12C(=O)Nc1ccccc12
InChIInChI=1S/C26H22N2O3/c1-28-15-20(17-9-3-2-4-10-17)25(16-31-22-14-8-5-11-18(22)23(25)29)26(28)19-12-6-7-13-21(19)27-24(26)30/h2-14,20H,15-16H2,1H3,(H,27,30)
InChIKeyQHOFUTURFHYTTR-UHFFFAOYSA-N
MW410.47 g/mol
LogP3.82
Rot. Bonds1

About chroman-4'-one-3'-spiro-3-N-methyl-4-phenyl-pyrrolidine-2-spiro-3"-oxindole

chroman-4'-one-3'-spiro-3-N-methyl-4-phenyl-pyrrolidine-2-spiro-3"-oxindole (PubChem CID 3715139) has the molecular formula C26H22N2O3 and a molecular weight of 410.47 g/mol.

Molecular Properties

Compound Namechroman-4'-one-3'-spiro-3-N-methyl-4-phenyl-pyrrolidine-2-spiro-3"-oxindole
PubChem CID3715139
Molecular FormulaC26H22N2O3
Molecular Weight410.47 g/mol
Exact Mass410.16
IUPAC Name—
SMILESCN1CC(c2ccccc2)C2(COc3ccccc3C2=O)C12C(=O)Nc1ccccc12
InChIInChI=1S/C26H22N2O3/c1-28-15-20(17-9-3-2-4-10-17)25(16-31-22-14-8-5-11-18(22)23(25)29)26(28)19-12-6-7-13-21(19)27-24(26)30/h2-14,20H,15-16H2,1H3,(H,27,30)
InChIKeyQHOFUTURFHYTTR-UHFFFAOYSA-N
XLogP3.82
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.47
LogP ≤ 53.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of chroman-4'-one-3'-spiro-3-N-methyl-4-phenyl-pyrrolidine-2-spiro-3"-oxindole?
The IUPAC name of chroman-4'-one-3'-spiro-3-N-methyl-4-phenyl-pyrrolidine-2-spiro-3"-oxindole (CID 3715139) is not available.
What is the SMILES notation for chroman-4'-one-3'-spiro-3-N-methyl-4-phenyl-pyrrolidine-2-spiro-3"-oxindole?
The canonical SMILES for chroman-4'-one-3'-spiro-3-N-methyl-4-phenyl-pyrrolidine-2-spiro-3"-oxindole is CN1CC(c2ccccc2)C2(COc3ccccc3C2=O)C12C(=O)Nc1ccccc12.
What is the InChIKey of chroman-4'-one-3'-spiro-3-N-methyl-4-phenyl-pyrrolidine-2-spiro-3"-oxindole?
The InChIKey is QHOFUTURFHYTTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H22N2O3/c1-28-15-20(17-9-3-2-4-10-17)25(16-31-22-14-8-5-11-18(22)23(25)29)26(28)19-12-6-7-13-21(19)27-24(26)30/h2-14,20H,15-16H2,1H3,(H,27,30).
What are the key properties of chroman-4'-one-3'-spiro-3-N-methyl-4-phenyl-pyrrolidine-2-spiro-3"-oxindole?
chroman-4'-one-3'-spiro-3-N-methyl-4-phenyl-pyrrolidine-2-spiro-3"-oxindole has a molecular weight of 410.47 g/mol, XLogP of 3.82, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for chroman-4'-one-3'-spiro-3-N-methyl-4-phenyl-pyrrolidine-2-spiro-3"-oxindole is sourced from PubChem (CID 3715139), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).