2-(3H-indol-5-ylmethyl)isoindole-1,3-dione

C17H12N2O2 — CID 19593939

IUPAC2-(3H-indol-5-ylmethyl)isoindole-1,3-dione
SMILESO=C1c2ccccc2C(=O)N1Cc1ccc2c(c1)CC=N2
InChIInChI=1S/C17H12N2O2/c20-16-13-3-1-2-4-14(13)17(21)19(16)10-11-5-6-15-12(9-11)7-8-18-15/h1-6,8-9H,7,10H2
InChIKeyWXUDWQZPGGHMSG-UHFFFAOYSA-N
MW276.30 g/mol
LogP2.74
Rot. Bonds2

About 2-(3H-indol-5-ylmethyl)isoindole-1,3-dione

2-(3H-indol-5-ylmethyl)isoindole-1,3-dione (PubChem CID 19593939) has the molecular formula C17H12N2O2 and a molecular weight of 276.30 g/mol. Its IUPAC name is 2-(3H-indol-5-ylmethyl)isoindole-1,3-dione.

Molecular Properties

Compound Name2-(3H-indol-5-ylmethyl)isoindole-1,3-dione
PubChem CID19593939
Molecular FormulaC17H12N2O2
Molecular Weight276.30 g/mol
Exact Mass276.09
IUPAC Name2-(3H-indol-5-ylmethyl)isoindole-1,3-dione
SMILESO=C1c2ccccc2C(=O)N1Cc1ccc2c(c1)CC=N2
InChIInChI=1S/C17H12N2O2/c20-16-13-3-1-2-4-14(13)17(21)19(16)10-11-5-6-15-12(9-11)7-8-18-15/h1-6,8-9H,7,10H2
InChIKeyWXUDWQZPGGHMSG-UHFFFAOYSA-N
XLogP2.74
TPSA49.74 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.30
LogP ≤ 52.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-[(2-bromo-1-oxo-2,3-dihydroinden-5-yl)methyl]isoindole-1,3-dione
CID 18790724
2-[(1-methyl-3H-2,1-benzoxaborol-6-yl)methyl]isoindole-1,3-dione
CID 167596796
5-[(1,3-dioxoisoindol-2-yl)methyl]-2,3-dihydroindole-1-carbaldehyde
CID 135142567
2-[(4-phenylphenyl)methyl]isoindole-1,3-dione
CID 7663732
2-[(4-fluorophenyl)methyl]isoindole-1,3-dione
CID 2774444
4-[(1,3-dioxoisoindol-2-yl)methyl]benzenesulfonyl chloride;sulfurochloridic acid
CID 159849106
2-(quinolin-6-ylmethyl)isoindole-1,3-dione
CID 23079294
2-[[3-bromo-5-[(1,3-dioxoisoindol-2-yl)methyl]phenyl]methyl]isoindole-1,3-dione
CID 15417918
2-[[3-[2-[3-[(1,3-dioxoisoindol-2-yl)methyl]phenyl]hydrazinyl]phenyl]methyl]isoindole-1,3-dione
CID 167064144
2-[(4-chloro-3-nitrophenyl)methyl]isoindole-1,3-dione
CID 18621850
N-[7-[(1,3-dioxoisoindol-2-yl)methyl]quinolin-2-yl]acetamide
CID 155705031
2-[(4-propylphenyl)methyl]isoindole-1,3-dione
CID 118513791

Frequently Asked Questions

What is the IUPAC name of 2-(3H-indol-5-ylmethyl)isoindole-1,3-dione?
The IUPAC name of 2-(3H-indol-5-ylmethyl)isoindole-1,3-dione (CID 19593939) is 2-(3H-indol-5-ylmethyl)isoindole-1,3-dione.
What is the SMILES notation for 2-(3H-indol-5-ylmethyl)isoindole-1,3-dione?
The canonical SMILES for 2-(3H-indol-5-ylmethyl)isoindole-1,3-dione is O=C1c2ccccc2C(=O)N1Cc1ccc2c(c1)CC=N2.
What is the InChIKey of 2-(3H-indol-5-ylmethyl)isoindole-1,3-dione?
The InChIKey is WXUDWQZPGGHMSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12N2O2/c20-16-13-3-1-2-4-14(13)17(21)19(16)10-11-5-6-15-12(9-11)7-8-18-15/h1-6,8-9H,7,10H2.
What are the key properties of 2-(3H-indol-5-ylmethyl)isoindole-1,3-dione?
2-(3H-indol-5-ylmethyl)isoindole-1,3-dione has a molecular weight of 276.30 g/mol, XLogP of 2.74, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3H-indol-5-ylmethyl)isoindole-1,3-dione is sourced from PubChem (CID 19593939), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).