6-Methoxy-1'-methyl-4'-phenylchroman-3-spiro-3'-pyrrolidine-2'-spiro-3''(2''H)-indole-2'',4-dione

C27H24N2O4 — CID 139072896

IUPAC—
SMILESCOc1ccc2c(c1)C(=O)[C@]1(CO2)[C@@H](c2ccccc2)CN(C)[C@@]12C(=O)Nc1ccccc12
InChIInChI=1S/C27H24N2O4/c1-29-15-21(17-8-4-3-5-9-17)26(27(29)20-10-6-7-11-22(20)28-25(27)31)16-33-23-13-12-18(32-2)14-19(23)24(26)30/h3-14,21H,15-16H2,1-2H3,(H,28,31)/t21-,26+,27+/m1/s1
InChIKeyMNISFLJRSSWETI-AIGMYPEUSA-N
MW440.50 g/mol
LogP3.83
Rot. Bonds2

About 6-Methoxy-1'-methyl-4'-phenylchroman-3-spiro-3'-pyrrolidine-2'-spiro-3''(2''H)-indole-2'',4-dione

6-Methoxy-1'-methyl-4'-phenylchroman-3-spiro-3'-pyrrolidine-2'-spiro-3''(2''H)-indole-2'',4-dione (PubChem CID 139072896) has the molecular formula C27H24N2O4 and a molecular weight of 440.50 g/mol.

Molecular Properties

Compound Name6-Methoxy-1'-methyl-4'-phenylchroman-3-spiro-3'-pyrrolidine-2'-spiro-3''(2''H)-indole-2'',4-dione
PubChem CID139072896
Molecular FormulaC27H24N2O4
Molecular Weight440.50 g/mol
Exact Mass440.17
IUPAC Name—
SMILESCOc1ccc2c(c1)C(=O)[C@]1(CO2)[C@@H](c2ccccc2)CN(C)[C@@]12C(=O)Nc1ccccc12
InChIInChI=1S/C27H24N2O4/c1-29-15-21(17-8-4-3-5-9-17)26(27(29)20-10-6-7-11-22(20)28-25(27)31)16-33-23-13-12-18(32-2)14-19(23)24(26)30/h3-14,21H,15-16H2,1-2H3,(H,28,31)/t21-,26+,27+/m1/s1
InChIKeyMNISFLJRSSWETI-AIGMYPEUSA-N
XLogP3.83
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500440.50
LogP ≤ 53.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-Methoxy-1'-methyl-4'-phenylchroman-3-spiro-3'-pyrrolidine-2'-spiro-3''(2''H)-indole-2'',4-dione?
The IUPAC name of 6-Methoxy-1'-methyl-4'-phenylchroman-3-spiro-3'-pyrrolidine-2'-spiro-3''(2''H)-indole-2'',4-dione (CID 139072896) is not available.
What is the SMILES notation for 6-Methoxy-1'-methyl-4'-phenylchroman-3-spiro-3'-pyrrolidine-2'-spiro-3''(2''H)-indole-2'',4-dione?
The canonical SMILES for 6-Methoxy-1'-methyl-4'-phenylchroman-3-spiro-3'-pyrrolidine-2'-spiro-3''(2''H)-indole-2'',4-dione is COc1ccc2c(c1)C(=O)[C@]1(CO2)[C@@H](c2ccccc2)CN(C)[C@@]12C(=O)Nc1ccccc12.
What is the InChIKey of 6-Methoxy-1'-methyl-4'-phenylchroman-3-spiro-3'-pyrrolidine-2'-spiro-3''(2''H)-indole-2'',4-dione?
The InChIKey is MNISFLJRSSWETI-AIGMYPEUSA-N. The full InChI is InChI=1S/C27H24N2O4/c1-29-15-21(17-8-4-3-5-9-17)26(27(29)20-10-6-7-11-22(20)28-25(27)31)16-33-23-13-12-18(32-2)14-19(23)24(26)30/h3-14,21H,15-16H2,1-2H3,(H,28,31)/t21-,26+,27+/m1/s1.
What are the key properties of 6-Methoxy-1'-methyl-4'-phenylchroman-3-spiro-3'-pyrrolidine-2'-spiro-3''(2''H)-indole-2'',4-dione?
6-Methoxy-1'-methyl-4'-phenylchroman-3-spiro-3'-pyrrolidine-2'-spiro-3''(2''H)-indole-2'',4-dione has a molecular weight of 440.50 g/mol, XLogP of 3.83, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-Methoxy-1'-methyl-4'-phenylchroman-3-spiro-3'-pyrrolidine-2'-spiro-3''(2''H)-indole-2'',4-dione is sourced from PubChem (CID 139072896), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).