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

C17H12N2O2 — CID 12504745

IUPAC2-(1H-indol-3-ylmethyl)isoindole-1,3-dione
SMILESO=C1c2ccccc2C(=O)N1Cc1c[nH]c2ccccc12
InChIInChI=1S/C17H12N2O2/c20-16-13-6-1-2-7-14(13)17(21)19(16)10-11-9-18-15-8-4-3-5-12(11)15/h1-9,18H,10H2
InChIKeyQJFCNBYXRIQJLG-UHFFFAOYSA-N
MW276.30 g/mol
LogP2.96
Rot. Bonds2

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

2-(1H-indol-3-ylmethyl)isoindole-1,3-dione (PubChem CID 12504745) has the molecular formula C17H12N2O2 and a molecular weight of 276.30 g/mol. Its IUPAC name is 2-(1H-indol-3-ylmethyl)isoindole-1,3-dione.

Molecular Properties

Compound Name2-(1H-indol-3-ylmethyl)isoindole-1,3-dione
PubChem CID12504745
Molecular FormulaC17H12N2O2
Molecular Weight276.30 g/mol
Exact Mass276.09
IUPAC Name2-(1H-indol-3-ylmethyl)isoindole-1,3-dione
SMILESO=C1c2ccccc2C(=O)N1Cc1c[nH]c2ccccc12
InChIInChI=1S/C17H12N2O2/c20-16-13-6-1-2-7-14(13)17(21)19(16)10-11-9-18-15-8-4-3-5-12(11)15/h1-9,18H,10H2
InChIKeyQJFCNBYXRIQJLG-UHFFFAOYSA-N
XLogP2.96
TPSA53.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.30
LogP ≤ 52.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-[3-(1H-indol-3-yl)propyl]isoindole-1,3-dione
CID 906585
(1,3-dioxoisoindol-2-yl)methyl 3-(1H-indol-3-yl)propanoate
CID 5207428
(4Z)-4-(dimethylaminomethylidene)-2-[2-(1H-indol-3-yl)ethyl]isoquinoline-1,3-dione
CID 6512110
2-[2-(1H-indol-3-yl)ethyl]-5-methylisoindole-1,3-dione
CID 1204633
2-[2-(1H-indol-3-yl)ethyl]-4H-isoquinoline-1,3-dione
CID 3775891
2-(1,3-dioxoisoindol-2-yl)-3-(1H-indol-3-yl)propanamide
CID 69397355
2-[2-(1H-indol-3-yl)ethyl]-1,3-dioxoisoindole-5-carboxylic acid
CID 906603
(1,3-dioxoisoindol-2-yl)methyl 1H-indole-3-carboxylate
CID 7517850
1-(1H-indol-3-ylmethyl)pyrimidine-2,4-dione
CID 4297693
3-(1,3-dioxopyrrolo[3,4-c]pyridin-2-yl)-N-[2-(1H-indol-3-yl)ethyl]propanamide
CID 71754941
2-[(5-fluoro-2-oxo-1H-pyridin-3-yl)methyl]isoindole-1,3-dione
CID 162374915
2-[(3-methyl-1H-indol-2-yl)methyl]isoindole-1,3-dione
CID 11623432

Frequently Asked Questions

What is the IUPAC name of 2-(1H-indol-3-ylmethyl)isoindole-1,3-dione?
The IUPAC name of 2-(1H-indol-3-ylmethyl)isoindole-1,3-dione (CID 12504745) is 2-(1H-indol-3-ylmethyl)isoindole-1,3-dione.
What is the SMILES notation for 2-(1H-indol-3-ylmethyl)isoindole-1,3-dione?
The canonical SMILES for 2-(1H-indol-3-ylmethyl)isoindole-1,3-dione is O=C1c2ccccc2C(=O)N1Cc1c[nH]c2ccccc12.
What is the InChIKey of 2-(1H-indol-3-ylmethyl)isoindole-1,3-dione?
The InChIKey is QJFCNBYXRIQJLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12N2O2/c20-16-13-6-1-2-7-14(13)17(21)19(16)10-11-9-18-15-8-4-3-5-12(11)15/h1-9,18H,10H2.
What are the key properties of 2-(1H-indol-3-ylmethyl)isoindole-1,3-dione?
2-(1H-indol-3-ylmethyl)isoindole-1,3-dione has a molecular weight of 276.30 g/mol, XLogP of 2.96, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1H-indol-3-ylmethyl)isoindole-1,3-dione is sourced from PubChem (CID 12504745), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).