chroman-4'-one-3'-spiro-3-N-methyl-4-(4-methylphenyl)-pyrrolidine-2-spiro-3"-oxindole

C27H24N2O3 — CID 3489657

IUPAC—
SMILESCc1ccc(C2CN(C)C3(C(=O)Nc4ccccc43)C23COc2ccccc2C3=O)cc1
InChIInChI=1S/C27H24N2O3/c1-17-11-13-18(14-12-17)21-15-29(2)27(20-8-4-5-9-22(20)28-25(27)31)26(21)16-32-23-10-6-3-7-19(23)24(26)30/h3-14,21H,15-16H2,1-2H3,(H,28,31)
InChIKeyCYYZPJAXGZCLPS-UHFFFAOYSA-N
MW424.50 g/mol
LogP4.13
Rot. Bonds1

About chroman-4'-one-3'-spiro-3-N-methyl-4-(4-methylphenyl)-pyrrolidine-2-spiro-3"-oxindole

chroman-4'-one-3'-spiro-3-N-methyl-4-(4-methylphenyl)-pyrrolidine-2-spiro-3"-oxindole (PubChem CID 3489657) has the molecular formula C27H24N2O3 and a molecular weight of 424.50 g/mol.

Molecular Properties

Compound Namechroman-4'-one-3'-spiro-3-N-methyl-4-(4-methylphenyl)-pyrrolidine-2-spiro-3"-oxindole
PubChem CID3489657
Molecular FormulaC27H24N2O3
Molecular Weight424.50 g/mol
Exact Mass424.18
IUPAC Name—
SMILESCc1ccc(C2CN(C)C3(C(=O)Nc4ccccc43)C23COc2ccccc2C3=O)cc1
InChIInChI=1S/C27H24N2O3/c1-17-11-13-18(14-12-17)21-15-29(2)27(20-8-4-5-9-22(20)28-25(27)31)26(21)16-32-23-10-6-3-7-19(23)24(26)30/h3-14,21H,15-16H2,1-2H3,(H,28,31)
InChIKeyCYYZPJAXGZCLPS-UHFFFAOYSA-N
XLogP4.13
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.50
LogP ≤ 54.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze chroman-4'-one-3'-spiro-3-N-methyl-4-(4-methylphenyl)-pyrrolidine-2-spiro-3"-oxindole 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 chroman-4'-one-3'-spiro-3-N-methyl-4-(4-methylphenyl)-pyrrolidine-2-spiro-3"-oxindole?
The IUPAC name of chroman-4'-one-3'-spiro-3-N-methyl-4-(4-methylphenyl)-pyrrolidine-2-spiro-3"-oxindole (CID 3489657) is not available.
What is the SMILES notation for chroman-4'-one-3'-spiro-3-N-methyl-4-(4-methylphenyl)-pyrrolidine-2-spiro-3"-oxindole?
The canonical SMILES for chroman-4'-one-3'-spiro-3-N-methyl-4-(4-methylphenyl)-pyrrolidine-2-spiro-3"-oxindole is Cc1ccc(C2CN(C)C3(C(=O)Nc4ccccc43)C23COc2ccccc2C3=O)cc1.
What is the InChIKey of chroman-4'-one-3'-spiro-3-N-methyl-4-(4-methylphenyl)-pyrrolidine-2-spiro-3"-oxindole?
The InChIKey is CYYZPJAXGZCLPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H24N2O3/c1-17-11-13-18(14-12-17)21-15-29(2)27(20-8-4-5-9-22(20)28-25(27)31)26(21)16-32-23-10-6-3-7-19(23)24(26)30/h3-14,21H,15-16H2,1-2H3,(H,28,31).
What are the key properties of chroman-4'-one-3'-spiro-3-N-methyl-4-(4-methylphenyl)-pyrrolidine-2-spiro-3"-oxindole?
chroman-4'-one-3'-spiro-3-N-methyl-4-(4-methylphenyl)-pyrrolidine-2-spiro-3"-oxindole has a molecular weight of 424.50 g/mol, XLogP of 4.13, 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-(4-methylphenyl)-pyrrolidine-2-spiro-3"-oxindole is sourced from PubChem (CID 3489657), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).