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

C27H21N3O3 — CID 3835430

IUPAC—
SMILESCN1CC(c2ccc(C#N)cc2)C2(COc3ccccc3C2=O)C12C(=O)Nc1ccccc12
InChIInChI=1S/C27H21N3O3/c1-30-15-21(18-12-10-17(14-28)11-13-18)26(16-33-23-9-5-2-6-19(23)24(26)31)27(30)20-7-3-4-8-22(20)29-25(27)32/h2-13,21H,15-16H2,1H3,(H,29,32)
InChIKeyUUCOFJBOCYGMSM-UHFFFAOYSA-N
MW435.48 g/mol
LogP3.70
Rot. Bonds1

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

chroman-4'-one-3'-spiro-3-N-methyl-4-(4-cyanophenyl)-pyrrolidine-2-spiro-3"-oxindole (PubChem CID 3835430) has the molecular formula C27H21N3O3 and a molecular weight of 435.48 g/mol.

Molecular Properties

Compound Namechroman-4'-one-3'-spiro-3-N-methyl-4-(4-cyanophenyl)-pyrrolidine-2-spiro-3"-oxindole
PubChem CID3835430
Molecular FormulaC27H21N3O3
Molecular Weight435.48 g/mol
Exact Mass435.16
IUPAC Name—
SMILESCN1CC(c2ccc(C#N)cc2)C2(COc3ccccc3C2=O)C12C(=O)Nc1ccccc12
InChIInChI=1S/C27H21N3O3/c1-30-15-21(18-12-10-17(14-28)11-13-18)26(16-33-23-9-5-2-6-19(23)24(26)31)27(30)20-7-3-4-8-22(20)29-25(27)32/h2-13,21H,15-16H2,1H3,(H,29,32)
InChIKeyUUCOFJBOCYGMSM-UHFFFAOYSA-N
XLogP3.70
TPSA82.43 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500435.48
LogP ≤ 53.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of chroman-4'-one-3'-spiro-3-N-methyl-4-(4-cyanophenyl)-pyrrolidine-2-spiro-3"-oxindole?
The IUPAC name of chroman-4'-one-3'-spiro-3-N-methyl-4-(4-cyanophenyl)-pyrrolidine-2-spiro-3"-oxindole (CID 3835430) is not available.
What is the SMILES notation for chroman-4'-one-3'-spiro-3-N-methyl-4-(4-cyanophenyl)-pyrrolidine-2-spiro-3"-oxindole?
The canonical SMILES for chroman-4'-one-3'-spiro-3-N-methyl-4-(4-cyanophenyl)-pyrrolidine-2-spiro-3"-oxindole is CN1CC(c2ccc(C#N)cc2)C2(COc3ccccc3C2=O)C12C(=O)Nc1ccccc12.
What is the InChIKey of chroman-4'-one-3'-spiro-3-N-methyl-4-(4-cyanophenyl)-pyrrolidine-2-spiro-3"-oxindole?
The InChIKey is UUCOFJBOCYGMSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H21N3O3/c1-30-15-21(18-12-10-17(14-28)11-13-18)26(16-33-23-9-5-2-6-19(23)24(26)31)27(30)20-7-3-4-8-22(20)29-25(27)32/h2-13,21H,15-16H2,1H3,(H,29,32).
What are the key properties of chroman-4'-one-3'-spiro-3-N-methyl-4-(4-cyanophenyl)-pyrrolidine-2-spiro-3"-oxindole?
chroman-4'-one-3'-spiro-3-N-methyl-4-(4-cyanophenyl)-pyrrolidine-2-spiro-3"-oxindole has a molecular weight of 435.48 g/mol, XLogP of 3.70, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for chroman-4'-one-3'-spiro-3-N-methyl-4-(4-cyanophenyl)-pyrrolidine-2-spiro-3"-oxindole is sourced from PubChem (CID 3835430), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).