5-methoxy-2'-methyl-5'-phenylspiro[1H-indole-3,3'-3a,6a-dihydro-1H-pyrrolo[3,4-c]pyrrole]-2,4',6'-trione

C21H19N3O4 — CID 56970565

IUPAC5-methoxy-2'-methyl-5'-phenylspiro[1H-indole-3,3'-3a,6a-dihydro-1H-pyrrolo[3,4-c]pyrrole]-2,4',6'-trione
SMILESCOc1ccc2c(c1)C1(C(=O)N2)C2C(=O)N(c3ccccc3)C(=O)C2CN1C
InChIInChI=1S/C21H19N3O4/c1-23-11-14-17(19(26)24(18(14)25)12-6-4-3-5-7-12)21(23)15-10-13(28-2)8-9-16(15)22-20(21)27/h3-10,14,17H,11H2,1-2H3,(H,22,27)
InChIKeyFKCKQZJOHBTSGA-UHFFFAOYSA-N
MW377.40 g/mol
LogP1.59
Rot. Bonds2

About 5-methoxy-2'-methyl-5'-phenylspiro[1H-indole-3,3'-3a,6a-dihydro-1H-pyrrolo[3,4-c]pyrrole]-2,4',6'-trione

5-methoxy-2'-methyl-5'-phenylspiro[1H-indole-3,3'-3a,6a-dihydro-1H-pyrrolo[3,4-c]pyrrole]-2,4',6'-trione (PubChem CID 56970565) has the molecular formula C21H19N3O4 and a molecular weight of 377.40 g/mol. Its IUPAC name is 5-methoxy-2'-methyl-5'-phenylspiro[1H-indole-3,3'-3a,6a-dihydro-1H-pyrrolo[3,4-c]pyrrole]-2,4',6'-trione.

Molecular Properties

Compound Name5-methoxy-2'-methyl-5'-phenylspiro[1H-indole-3,3'-3a,6a-dihydro-1H-pyrrolo[3,4-c]pyrrole]-2,4',6'-trione
PubChem CID56970565
Molecular FormulaC21H19N3O4
Molecular Weight377.40 g/mol
Exact Mass377.14
IUPAC Name5-methoxy-2'-methyl-5'-phenylspiro[1H-indole-3,3'-3a,6a-dihydro-1H-pyrrolo[3,4-c]pyrrole]-2,4',6'-trione
SMILESCOc1ccc2c(c1)C1(C(=O)N2)C2C(=O)N(c3ccccc3)C(=O)C2CN1C
InChIInChI=1S/C21H19N3O4/c1-23-11-14-17(19(26)24(18(14)25)12-6-4-3-5-7-12)21(23)15-10-13(28-2)8-9-16(15)22-20(21)27/h3-10,14,17H,11H2,1-2H3,(H,22,27)
InChIKeyFKCKQZJOHBTSGA-UHFFFAOYSA-N
XLogP1.59
TPSA78.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.40
LogP ≤ 51.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phthalimide', 'substructure': 'N/A'}

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Related Compounds

(3S,3'aR,8'aR,8'bS)-2'-(4-chlorophenyl)-5-methoxyspiro[1H-indole-3,4'-3a,6,7,8,8a,8b-hexahydropyrrolo[3,4-a]pyrrolizine]-1',2,3'-trione
CID 41028981
(3S,3'S,4'S)-4'-(4-fluorophenyl)-5-methoxy-1'-methyl-3'-(thiophene-2-carbonyl)spiro[1H-indole-3,2'-pyrrolidine]-2-one
CID 41009932
2'-(4-methoxyphenyl)-5-methylspiro[1H-indole-3,4'-3a,6,7,8,8a,8b-hexahydropyrrolo[3,4-a]pyrrolizine]-1',2,3'-trione
CID 4239743
(3S,3'aS,8'aS,8'bS)-5-fluoro-2'-(4-methoxyphenyl)spiro[1H-indole-3,4'-3a,6,7,8,8a,8b-hexahydropyrrolo[3,4-a]pyrrolizine]-1',2,3'-trione
CID 124762832
(3S,3'aR,8'aR,8'bS)-5-ethyl-2'-phenylspiro[1H-indole-3,4'-3a,6,7,8,8a,8b-hexahydropyrrolo[3,4-a]pyrrolizine]-1',2,3'-trione
CID 51434290
(3R,3'aS,8'aR,8'bS)-5-methyl-2'-phenylspiro[1H-indole-3,4'-3a,6,7,8,8a,8b-hexahydropyrrolo[3,4-a]pyrrolizine]-1',2,3'-trione
CID 51671633
(3S,3'S,4'R)-5-methoxy-1'-methyl-4'-(3-nitrophenyl)-3'-(pyridine-4-carbonyl)spiro[1H-indole-3,2'-pyrrolidine]-2-one
CID 40807837
2-(3-methoxyphenyl)-3a,4,7,7a-tetrahydroisoindole-1,3-dione
CID 4577746
5-fluoro-2'-phenylspiro[1H-indole-3,4'-3a,6,7,8,8a,8b-hexahydropyrrolo[3,4-a]pyrrolizine]-1',2,3'-trione
CID 4885931
(3R,3'aR,8'aS,8'bS)-5-fluoro-2'-phenylspiro[1H-indole-3,4'-3a,6,7,8,8a,8b-hexahydropyrrolo[3,4-a]pyrrolizine]-1',2,3'-trione
CID 92507927
(3S,3'aR,8'aR,8'bS)-5-methoxy-2'-(4-methyl-3-nitrophenyl)spiro[1H-indole-3,4'-3a,6,7,8,8a,8b-hexahydropyrrolo[3,4-a]pyrrolizine]-1',2,3'-trione
CID 98506785
(3R,3'aS,8'aS,8'bS)-5-chloro-2'-phenylspiro[1H-indole-3,4'-3a,6,7,8,8a,8b-hexahydropyrrolo[3,4-a]pyrrolizine]-1',2,3'-trione
CID 100822478

Frequently Asked Questions

What is the IUPAC name of 5-methoxy-2'-methyl-5'-phenylspiro[1H-indole-3,3'-3a,6a-dihydro-1H-pyrrolo[3,4-c]pyrrole]-2,4',6'-trione?
The IUPAC name of 5-methoxy-2'-methyl-5'-phenylspiro[1H-indole-3,3'-3a,6a-dihydro-1H-pyrrolo[3,4-c]pyrrole]-2,4',6'-trione (CID 56970565) is 5-methoxy-2'-methyl-5'-phenylspiro[1H-indole-3,3'-3a,6a-dihydro-1H-pyrrolo[3,4-c]pyrrole]-2,4',6'-trione.
What is the SMILES notation for 5-methoxy-2'-methyl-5'-phenylspiro[1H-indole-3,3'-3a,6a-dihydro-1H-pyrrolo[3,4-c]pyrrole]-2,4',6'-trione?
The canonical SMILES for 5-methoxy-2'-methyl-5'-phenylspiro[1H-indole-3,3'-3a,6a-dihydro-1H-pyrrolo[3,4-c]pyrrole]-2,4',6'-trione is COc1ccc2c(c1)C1(C(=O)N2)C2C(=O)N(c3ccccc3)C(=O)C2CN1C.
What is the InChIKey of 5-methoxy-2'-methyl-5'-phenylspiro[1H-indole-3,3'-3a,6a-dihydro-1H-pyrrolo[3,4-c]pyrrole]-2,4',6'-trione?
The InChIKey is FKCKQZJOHBTSGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19N3O4/c1-23-11-14-17(19(26)24(18(14)25)12-6-4-3-5-7-12)21(23)15-10-13(28-2)8-9-16(15)22-20(21)27/h3-10,14,17H,11H2,1-2H3,(H,22,27).
What are the key properties of 5-methoxy-2'-methyl-5'-phenylspiro[1H-indole-3,3'-3a,6a-dihydro-1H-pyrrolo[3,4-c]pyrrole]-2,4',6'-trione?
5-methoxy-2'-methyl-5'-phenylspiro[1H-indole-3,3'-3a,6a-dihydro-1H-pyrrolo[3,4-c]pyrrole]-2,4',6'-trione has a molecular weight of 377.40 g/mol, XLogP of 1.59, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methoxy-2'-methyl-5'-phenylspiro[1H-indole-3,3'-3a,6a-dihydro-1H-pyrrolo[3,4-c]pyrrole]-2,4',6'-trione is sourced from PubChem (CID 56970565), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).