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

C20H16ClN3O3 — CID 56970564

IUPAC5-chloro-2'-methyl-5'-phenylspiro[1H-indole-3,3'-3a,6a-dihydro-1H-pyrrolo[3,4-c]pyrrole]-2,4',6'-trione
SMILESCN1CC2C(=O)N(c3ccccc3)C(=O)C2C12C(=O)Nc1ccc(Cl)cc12
InChIInChI=1S/C20H16ClN3O3/c1-23-10-13-16(18(26)24(17(13)25)12-5-3-2-4-6-12)20(23)14-9-11(21)7-8-15(14)22-19(20)27/h2-9,13,16H,10H2,1H3,(H,22,27)
InChIKeyDILGOMWLIDDFQA-UHFFFAOYSA-N
MW381.82 g/mol
LogP2.24
Rot. Bonds1

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

5-chloro-2'-methyl-5'-phenylspiro[1H-indole-3,3'-3a,6a-dihydro-1H-pyrrolo[3,4-c]pyrrole]-2,4',6'-trione (PubChem CID 56970564) has the molecular formula C20H16ClN3O3 and a molecular weight of 381.82 g/mol. Its IUPAC name is 5-chloro-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-chloro-2'-methyl-5'-phenylspiro[1H-indole-3,3'-3a,6a-dihydro-1H-pyrrolo[3,4-c]pyrrole]-2,4',6'-trione
PubChem CID56970564
Molecular FormulaC20H16ClN3O3
Molecular Weight381.82 g/mol
Exact Mass381.09
IUPAC Name5-chloro-2'-methyl-5'-phenylspiro[1H-indole-3,3'-3a,6a-dihydro-1H-pyrrolo[3,4-c]pyrrole]-2,4',6'-trione
SMILESCN1CC2C(=O)N(c3ccccc3)C(=O)C2C12C(=O)Nc1ccc(Cl)cc12
InChIInChI=1S/C20H16ClN3O3/c1-23-10-13-16(18(26)24(17(13)25)12-5-3-2-4-6-12)20(23)14-9-11(21)7-8-15(14)22-19(20)27/h2-9,13,16H,10H2,1H3,(H,22,27)
InChIKeyDILGOMWLIDDFQA-UHFFFAOYSA-N
XLogP2.24
TPSA69.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.82
LogP ≤ 52.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-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-chloro-2'-methyl-5'-phenylspiro[1H-indole-3,3'-3a,6a-dihydro-1H-pyrrolo[3,4-c]pyrrole]-2,4',6'-trione (CID 56970564) is 5-chloro-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-chloro-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-chloro-2'-methyl-5'-phenylspiro[1H-indole-3,3'-3a,6a-dihydro-1H-pyrrolo[3,4-c]pyrrole]-2,4',6'-trione is CN1CC2C(=O)N(c3ccccc3)C(=O)C2C12C(=O)Nc1ccc(Cl)cc12.
What is the InChIKey of 5-chloro-2'-methyl-5'-phenylspiro[1H-indole-3,3'-3a,6a-dihydro-1H-pyrrolo[3,4-c]pyrrole]-2,4',6'-trione?
The InChIKey is DILGOMWLIDDFQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16ClN3O3/c1-23-10-13-16(18(26)24(17(13)25)12-5-3-2-4-6-12)20(23)14-9-11(21)7-8-15(14)22-19(20)27/h2-9,13,16H,10H2,1H3,(H,22,27).
What are the key properties of 5-chloro-2'-methyl-5'-phenylspiro[1H-indole-3,3'-3a,6a-dihydro-1H-pyrrolo[3,4-c]pyrrole]-2,4',6'-trione?
5-chloro-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 381.82 g/mol, XLogP of 2.24, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-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 56970564), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).