2-(2,3-dihydroindol-1-ylmethyl)isoindole-1,3-dione

C17H14N2O2 — CID 21204263

IUPAC2-(2,3-dihydroindol-1-ylmethyl)isoindole-1,3-dione
SMILESO=C1c2ccccc2C(=O)N1CN1CCc2ccccc21
InChIInChI=1S/C17H14N2O2/c20-16-13-6-2-3-7-14(13)17(21)19(16)11-18-10-9-12-5-1-4-8-15(12)18/h1-8H,9-11H2
InChIKeyZJCOIWHQQBYFKX-UHFFFAOYSA-N
MW278.31 g/mol
LogP2.30
Rot. Bonds2

About 2-(2,3-dihydroindol-1-ylmethyl)isoindole-1,3-dione

2-(2,3-dihydroindol-1-ylmethyl)isoindole-1,3-dione (PubChem CID 21204263) has the molecular formula C17H14N2O2 and a molecular weight of 278.31 g/mol. Its IUPAC name is 2-(2,3-dihydroindol-1-ylmethyl)isoindole-1,3-dione.

Molecular Properties

Compound Name2-(2,3-dihydroindol-1-ylmethyl)isoindole-1,3-dione
PubChem CID21204263
Molecular FormulaC17H14N2O2
Molecular Weight278.31 g/mol
Exact Mass278.11
IUPAC Name2-(2,3-dihydroindol-1-ylmethyl)isoindole-1,3-dione
SMILESO=C1c2ccccc2C(=O)N1CN1CCc2ccccc21
InChIInChI=1S/C17H14N2O2/c20-16-13-6-2-3-7-14(13)17(21)19(16)11-18-10-9-12-5-1-4-8-15(12)18/h1-8H,9-11H2
InChIKeyZJCOIWHQQBYFKX-UHFFFAOYSA-N
XLogP2.30
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.31
LogP ≤ 52.30
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

N-[2-(2,3-dihydroindol-1-yl)ethyl]-4-(1,3-dioxoisoindol-2-yl)butanamide
CID 112502054
1-(chloromethyl)-2,3-dihydroindole
CID 59108457
2-[(3,4-dihydro-2H-quinolin-1-ylamino)methyl]isoindole-1,3-dione
CID 679881
2,3-dihydroindol-1-ylmethylphosphonic acid
CID 53215241
1-(2-iodoethyl)-2,3-dihydroindole
CID 131082836
2-(2,3-dihydroindol-1-yl)ethanamine
CID 1072384
2-(2,3-dihydroindol-1-yl)acetate
CID 6935608
2-(2,3-dihydroindol-1-yl)ethanol;hydrochloride
CID 169005265
2-[2-(1,2,4,4a,5,6-hexahydropyrazino[1,2-a]quinolin-3-yl)ethyl]isoindole-1,3-dione
CID 139703019
1-[(1,3-dioxoisoindol-2-yl)methyl]-2,3-dihydroindole-2-carboxylic acid
CID 130684080
2-[5-(3,4-dihydro-1H-isoquinolin-2-yl)pentyl]isoindole-1,3-dione
CID 71606440
2-(2-methylpropyl)-3,4-dihydroisoquinolin-1-one
CID 20772326

Frequently Asked Questions

What is the IUPAC name of 2-(2,3-dihydroindol-1-ylmethyl)isoindole-1,3-dione?
The IUPAC name of 2-(2,3-dihydroindol-1-ylmethyl)isoindole-1,3-dione (CID 21204263) is 2-(2,3-dihydroindol-1-ylmethyl)isoindole-1,3-dione.
What is the SMILES notation for 2-(2,3-dihydroindol-1-ylmethyl)isoindole-1,3-dione?
The canonical SMILES for 2-(2,3-dihydroindol-1-ylmethyl)isoindole-1,3-dione is O=C1c2ccccc2C(=O)N1CN1CCc2ccccc21.
What is the InChIKey of 2-(2,3-dihydroindol-1-ylmethyl)isoindole-1,3-dione?
The InChIKey is ZJCOIWHQQBYFKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14N2O2/c20-16-13-6-2-3-7-14(13)17(21)19(16)11-18-10-9-12-5-1-4-8-15(12)18/h1-8H,9-11H2.
What are the key properties of 2-(2,3-dihydroindol-1-ylmethyl)isoindole-1,3-dione?
2-(2,3-dihydroindol-1-ylmethyl)isoindole-1,3-dione has a molecular weight of 278.31 g/mol, XLogP of 2.30, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,3-dihydroindol-1-ylmethyl)isoindole-1,3-dione is sourced from PubChem (CID 21204263), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).