2'-methylspiro[2H-isoindole-3,4'-3a,8b-dihydroindeno[1,2-c]pyrrole]-1,1',3'-trione

C19H14N2O3 — CID 142745066

IUPAC2'-methylspiro[2H-isoindole-3,4'-3a,8b-dihydroindeno[1,2-c]pyrrole]-1,1',3'-trione
SMILESCN1C(=O)C2c3ccccc3C3(NC(=O)c4ccccc43)C2C1=O
InChIInChI=1S/C19H14N2O3/c1-21-17(23)14-10-6-2-4-8-12(10)19(15(14)18(21)24)13-9-5-3-7-11(13)16(22)20-19/h2-9,14-15H,1H3,(H,20,22)
InChIKeyMSJZNJSVMPQXOB-UHFFFAOYSA-N
MW318.33 g/mol
LogP1.39
Rot. Bonds

About 2'-methylspiro[2H-isoindole-3,4'-3a,8b-dihydroindeno[1,2-c]pyrrole]-1,1',3'-trione

2'-methylspiro[2H-isoindole-3,4'-3a,8b-dihydroindeno[1,2-c]pyrrole]-1,1',3'-trione (PubChem CID 142745066) has the molecular formula C19H14N2O3 and a molecular weight of 318.33 g/mol. Its IUPAC name is 2'-methylspiro[2H-isoindole-3,4'-3a,8b-dihydroindeno[1,2-c]pyrrole]-1,1',3'-trione.

Molecular Properties

Compound Name2'-methylspiro[2H-isoindole-3,4'-3a,8b-dihydroindeno[1,2-c]pyrrole]-1,1',3'-trione
PubChem CID142745066
Molecular FormulaC19H14N2O3
Molecular Weight318.33 g/mol
Exact Mass318.10
IUPAC Name2'-methylspiro[2H-isoindole-3,4'-3a,8b-dihydroindeno[1,2-c]pyrrole]-1,1',3'-trione
SMILESCN1C(=O)C2c3ccccc3C3(NC(=O)c4ccccc43)C2C1=O
InChIInChI=1S/C19H14N2O3/c1-21-17(23)14-10-6-2-4-8-12(10)19(15(14)18(21)24)13-9-5-3-7-11(13)16(22)20-19/h2-9,14-15H,1H3,(H,20,22)
InChIKeyMSJZNJSVMPQXOB-UHFFFAOYSA-N
XLogP1.39
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.33
LogP ≤ 51.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2'-benzylspiro[2H-isoindole-3,4'-3a,8b-dihydroindeno[1,2-c]pyrrole]-1,1',3'-trione
CID 142745047
2'-cyclohexylspiro[2H-isoindole-3,4'-3a,8b-dihydroindeno[1,2-c]pyrrole]-1,1',3'-trione
CID 142745046
(15R,19R)-1,17-dimethyl-17-azapentacyclo[6.6.5.02,7.09,14.015,19]nonadeca-2,4,6,9,11,13-hexaene-16,18-dione
CID 7316799
(15R,19S)-17-methyl-16,18-dioxo-17-azapentacyclo[6.6.5.02,7.09,14.015,19]nonadeca-2,4,6,9,11,13-hexaene-1-carbaldehyde
CID 40553231
(15R,19R)-1-[(1R)-1-methoxyethyl]-17-methyl-17-azapentacyclo[6.6.5.02,7.09,14.015,19]nonadeca-2,4,6,9,11,13-hexaene-16,18-dione
CID 46945308
17-methyl-1-nitro-17-azapentacyclo[6.6.5.02,7.09,14.015,19]nonadeca-2,4,6,9,11,13-hexaene-16,18-dione
CID 134472171
1,8,11-trimethyl-14-oxa-11-azatetracyclo[6.5.1.02,7.09,13]tetradeca-2,4,6-triene-10,12-dione
CID 101132123
3-cyclohexyl-3-phenyl-2H-isoindol-1-one
CID 134952980
3-tert-butyl-3-deuteriooxy-2H-isoindol-1-one
CID 58979741
(15S,19S)-1-[(1R)-1,2-dimethoxyethyl]-17-methyl-17-azapentacyclo[6.6.5.02,7.09,14.015,19]nonadeca-2,4,6,9,11,13-hexaene-16,18-dione
CID 102214335
N-[1-[(15S,19S)-17-methyl-16,18-dioxo-17-azapentacyclo[6.6.5.02,7.09,14.015,19]nonadeca-2,4,6,9,11,13-hexaen-1-yl]ethyl]acetamide
CID 122208252
3-hydroxy-1-methyl-4-[3-oxo-2-[4-(trifluoromethyl)phenyl]-1H-indol-2-yl]pyrrolidine-2,5-dione
CID 162371434

Frequently Asked Questions

What is the IUPAC name of 2'-methylspiro[2H-isoindole-3,4'-3a,8b-dihydroindeno[1,2-c]pyrrole]-1,1',3'-trione?
The IUPAC name of 2'-methylspiro[2H-isoindole-3,4'-3a,8b-dihydroindeno[1,2-c]pyrrole]-1,1',3'-trione (CID 142745066) is 2'-methylspiro[2H-isoindole-3,4'-3a,8b-dihydroindeno[1,2-c]pyrrole]-1,1',3'-trione.
What is the SMILES notation for 2'-methylspiro[2H-isoindole-3,4'-3a,8b-dihydroindeno[1,2-c]pyrrole]-1,1',3'-trione?
The canonical SMILES for 2'-methylspiro[2H-isoindole-3,4'-3a,8b-dihydroindeno[1,2-c]pyrrole]-1,1',3'-trione is CN1C(=O)C2c3ccccc3C3(NC(=O)c4ccccc43)C2C1=O.
What is the InChIKey of 2'-methylspiro[2H-isoindole-3,4'-3a,8b-dihydroindeno[1,2-c]pyrrole]-1,1',3'-trione?
The InChIKey is MSJZNJSVMPQXOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14N2O3/c1-21-17(23)14-10-6-2-4-8-12(10)19(15(14)18(21)24)13-9-5-3-7-11(13)16(22)20-19/h2-9,14-15H,1H3,(H,20,22).
What are the key properties of 2'-methylspiro[2H-isoindole-3,4'-3a,8b-dihydroindeno[1,2-c]pyrrole]-1,1',3'-trione?
2'-methylspiro[2H-isoindole-3,4'-3a,8b-dihydroindeno[1,2-c]pyrrole]-1,1',3'-trione has a molecular weight of 318.33 g/mol, XLogP of 1.39, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2'-methylspiro[2H-isoindole-3,4'-3a,8b-dihydroindeno[1,2-c]pyrrole]-1,1',3'-trione is sourced from PubChem (CID 142745066), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).