1-methyl-4,7-diphenyl-5,5a,8a,8b-tetrahydropyrrolo[3,4-g]indole-6,8-dione

C23H20N2O2 — CID 135047431

IUPAC1-methyl-4,7-diphenyl-5,5a,8a,8b-tetrahydropyrrolo[3,4-g]indole-6,8-dione
SMILESCN1C=CC2=C(c3ccccc3)CC3C(=O)N(c4ccccc4)C(=O)C3C21
InChIInChI=1S/C23H20N2O2/c1-24-13-12-17-18(15-8-4-2-5-9-15)14-19-20(21(17)24)23(27)25(22(19)26)16-10-6-3-7-11-16/h2-13,19-21H,14H2,1H3
InChIKeyNXPXEMPRBASUMI-UHFFFAOYSA-N
MW356.43 g/mol
LogP3.48
Rot. Bonds2

About 1-methyl-4,7-diphenyl-5,5a,8a,8b-tetrahydropyrrolo[3,4-g]indole-6,8-dione

1-methyl-4,7-diphenyl-5,5a,8a,8b-tetrahydropyrrolo[3,4-g]indole-6,8-dione (PubChem CID 135047431) has the molecular formula C23H20N2O2 and a molecular weight of 356.43 g/mol. Its IUPAC name is 1-methyl-4,7-diphenyl-5,5a,8a,8b-tetrahydropyrrolo[3,4-g]indole-6,8-dione.

Molecular Properties

Compound Name1-methyl-4,7-diphenyl-5,5a,8a,8b-tetrahydropyrrolo[3,4-g]indole-6,8-dione
PubChem CID135047431
Molecular FormulaC23H20N2O2
Molecular Weight356.43 g/mol
Exact Mass356.15
IUPAC Name1-methyl-4,7-diphenyl-5,5a,8a,8b-tetrahydropyrrolo[3,4-g]indole-6,8-dione
SMILESCN1C=CC2=C(c3ccccc3)CC3C(=O)N(c4ccccc4)C(=O)C3C21
InChIInChI=1S/C23H20N2O2/c1-24-13-12-17-18(15-8-4-2-5-9-15)14-19-20(21(17)24)23(27)25(22(19)26)16-10-6-3-7-11-16/h2-13,19-21H,14H2,1H3
InChIKeyNXPXEMPRBASUMI-UHFFFAOYSA-N
XLogP3.48
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.43
LogP ≤ 53.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 1-methyl-4,7-diphenyl-5,5a,8a,8b-tetrahydropyrrolo[3,4-g]indole-6,8-dione with MolForge

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Related Compounds

(1R,2R,6R,7S)-4-phenyl-4-azatricyclo[5.2.2.02,6]undecane-3,5,8,10-tetrone
CID 98343423
7-phenyl-2,3,5,5a,8a,9-hexahydro-[1,4]dioxino[2,3-f]isoindole-6,8-dione
CID 102204081
4-phenyl-9,11-dioxa-4-azatetracyclo[5.3.1.02,6.08,10]undecane-3,5-dione
CID 162787664
2-methyl-1,3,5-triphenyl-1,3,3a,6a-tetrahydropyrrolo[3,4-c]pyrrole-4,6-dione
CID 15019688
(1S,2R,3S,7S,11R,12R,16R)-5,14-bis(3-methylphenyl)-9-phenyl-5,14-diazapentacyclo[9.5.2.02,10.03,7.012,16]octadeca-9,17-diene-4,6,13,15-tetrone
CID 98090258
(1R,2R,3S,7S,11R,12R,16S)-5,14-bis(4-methoxyphenyl)-9-phenyl-5,14-diazapentacyclo[9.5.2.02,10.03,7.012,16]octadeca-9,17-diene-4,6,13,15-tetrone
CID 99734377
(1S,6R,7S)-4-(4-methylphenyl)-8,9-diphenyl-4-azatricyclo[5.2.1.02,6]dec-8-ene-3,5-dione
CID 163169901
(1aR,2aR,5aS,6aS)-1a,6a-dimethyl-4-phenyl-2,2a,5a,6-tetrahydrooxireno[2,3-f]isoindole-3,5-dione
CID 10564037
2-phenyl-5-propan-2-ylidene-3a,4,6,6a-tetrahydrocyclopenta[c]pyrrole-1,3-dione
CID 620418
(1R,2R,6S,7S)-8-methyl-4-phenyl-4,8-diazatricyclo[5.2.2.02,6]undec-10-ene-3,5,9-trione
CID 11885679
(1R,2R,3S,7R,11S,12R,16S)-5,14-bis(4-ethoxyphenyl)-9-phenyl-5,14-diazapentacyclo[9.5.2.02,10.03,7.012,16]octadeca-9,17-diene-4,6,13,15-tetrone
CID 99723793
(3aR,4S,7S,7aS)-2,4,7-triphenyl-3a,4,5,6,7,7a-hexahydroisoindole-1,3-dione
CID 100871293

Frequently Asked Questions

What is the IUPAC name of 1-methyl-4,7-diphenyl-5,5a,8a,8b-tetrahydropyrrolo[3,4-g]indole-6,8-dione?
The IUPAC name of 1-methyl-4,7-diphenyl-5,5a,8a,8b-tetrahydropyrrolo[3,4-g]indole-6,8-dione (CID 135047431) is 1-methyl-4,7-diphenyl-5,5a,8a,8b-tetrahydropyrrolo[3,4-g]indole-6,8-dione.
What is the SMILES notation for 1-methyl-4,7-diphenyl-5,5a,8a,8b-tetrahydropyrrolo[3,4-g]indole-6,8-dione?
The canonical SMILES for 1-methyl-4,7-diphenyl-5,5a,8a,8b-tetrahydropyrrolo[3,4-g]indole-6,8-dione is CN1C=CC2=C(c3ccccc3)CC3C(=O)N(c4ccccc4)C(=O)C3C21.
What is the InChIKey of 1-methyl-4,7-diphenyl-5,5a,8a,8b-tetrahydropyrrolo[3,4-g]indole-6,8-dione?
The InChIKey is NXPXEMPRBASUMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20N2O2/c1-24-13-12-17-18(15-8-4-2-5-9-15)14-19-20(21(17)24)23(27)25(22(19)26)16-10-6-3-7-11-16/h2-13,19-21H,14H2,1H3.
What are the key properties of 1-methyl-4,7-diphenyl-5,5a,8a,8b-tetrahydropyrrolo[3,4-g]indole-6,8-dione?
1-methyl-4,7-diphenyl-5,5a,8a,8b-tetrahydropyrrolo[3,4-g]indole-6,8-dione has a molecular weight of 356.43 g/mol, XLogP of 3.48, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-4,7-diphenyl-5,5a,8a,8b-tetrahydropyrrolo[3,4-g]indole-6,8-dione is sourced from PubChem (CID 135047431), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).