2-[(1,2-dimethylindol-5-yl)methyl]isoindole-1,3-dione

C19H16N2O2 — CID 3240889

IUPAC2-[(1,2-dimethylindol-5-yl)methyl]isoindole-1,3-dione
SMILESCc1cc2cc(CN3C(=O)c4ccccc4C3=O)ccc2n1C
InChIInChI=1S/C19H16N2O2/c1-12-9-14-10-13(7-8-17(14)20(12)2)11-21-18(22)15-5-3-4-6-16(15)19(21)23/h3-10H,11H2,1-2H3
InChIKeyHYKMSFVNDBWYSP-UHFFFAOYSA-N
MW304.35 g/mol
LogP3.28
Rot. Bonds2

About 2-[(1,2-dimethylindol-5-yl)methyl]isoindole-1,3-dione

2-[(1,2-dimethylindol-5-yl)methyl]isoindole-1,3-dione (PubChem CID 3240889) has the molecular formula C19H16N2O2 and a molecular weight of 304.35 g/mol. Its IUPAC name is 2-[(1,2-dimethylindol-5-yl)methyl]isoindole-1,3-dione.

Molecular Properties

Compound Name2-[(1,2-dimethylindol-5-yl)methyl]isoindole-1,3-dione
PubChem CID3240889
Molecular FormulaC19H16N2O2
Molecular Weight304.35 g/mol
Exact Mass304.12
IUPAC Name2-[(1,2-dimethylindol-5-yl)methyl]isoindole-1,3-dione
SMILESCc1cc2cc(CN3C(=O)c4ccccc4C3=O)ccc2n1C
InChIInChI=1S/C19H16N2O2/c1-12-9-14-10-13(7-8-17(14)20(12)2)11-21-18(22)15-5-3-4-6-16(15)19(21)23/h3-10H,11H2,1-2H3
InChIKeyHYKMSFVNDBWYSP-UHFFFAOYSA-N
XLogP3.28
TPSA42.31 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.35
LogP ≤ 53.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-[(1,2-dimethylindol-5-yl)methyl]isoindole-1,3-dione?
The IUPAC name of 2-[(1,2-dimethylindol-5-yl)methyl]isoindole-1,3-dione (CID 3240889) is 2-[(1,2-dimethylindol-5-yl)methyl]isoindole-1,3-dione.
What is the SMILES notation for 2-[(1,2-dimethylindol-5-yl)methyl]isoindole-1,3-dione?
The canonical SMILES for 2-[(1,2-dimethylindol-5-yl)methyl]isoindole-1,3-dione is Cc1cc2cc(CN3C(=O)c4ccccc4C3=O)ccc2n1C.
What is the InChIKey of 2-[(1,2-dimethylindol-5-yl)methyl]isoindole-1,3-dione?
The InChIKey is HYKMSFVNDBWYSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16N2O2/c1-12-9-14-10-13(7-8-17(14)20(12)2)11-21-18(22)15-5-3-4-6-16(15)19(21)23/h3-10H,11H2,1-2H3.
What are the key properties of 2-[(1,2-dimethylindol-5-yl)methyl]isoindole-1,3-dione?
2-[(1,2-dimethylindol-5-yl)methyl]isoindole-1,3-dione has a molecular weight of 304.35 g/mol, XLogP of 3.28, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1,2-dimethylindol-5-yl)methyl]isoindole-1,3-dione is sourced from PubChem (CID 3240889), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).