2-[3-(1H-indol-3-yl)propyl]isoindole-1,3-dione

C19H16N2O2 — CID 906585

IUPAC2-[3-(1H-indol-3-yl)propyl]isoindole-1,3-dione
SMILESO=C1c2ccccc2C(=O)N1CCCc1c[nH]c2ccccc12
InChIInChI=1S/C19H16N2O2/c22-18-15-8-1-2-9-16(15)19(23)21(18)11-5-6-13-12-20-17-10-4-3-7-14(13)17/h1-4,7-10,12,20H,5-6,11H2
InChIKeyLNNLNNPQBNHWLJ-UHFFFAOYSA-N
MW304.35 g/mol
LogP3.40
Rot. Bonds4

About 2-[3-(1H-indol-3-yl)propyl]isoindole-1,3-dione

2-[3-(1H-indol-3-yl)propyl]isoindole-1,3-dione (PubChem CID 906585) has the molecular formula C19H16N2O2 and a molecular weight of 304.35 g/mol. Its IUPAC name is 2-[3-(1H-indol-3-yl)propyl]isoindole-1,3-dione.

Molecular Properties

Compound Name2-[3-(1H-indol-3-yl)propyl]isoindole-1,3-dione
PubChem CID906585
Molecular FormulaC19H16N2O2
Molecular Weight304.35 g/mol
Exact Mass304.12
IUPAC Name2-[3-(1H-indol-3-yl)propyl]isoindole-1,3-dione
SMILESO=C1c2ccccc2C(=O)N1CCCc1c[nH]c2ccccc12
InChIInChI=1S/C19H16N2O2/c22-18-15-8-1-2-9-16(15)19(23)21(18)11-5-6-13-12-20-17-10-4-3-7-14(13)17/h1-4,7-10,12,20H,5-6,11H2
InChIKeyLNNLNNPQBNHWLJ-UHFFFAOYSA-N
XLogP3.40
TPSA53.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.35
LogP ≤ 53.40
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-(1H-indol-3-ylmethyl)isoindole-1,3-dione
CID 12504745
2-[3-(5-methoxy-1H-indol-3-yl)propyl]isoindole-1,3-dione
CID 906584
(3aS,7aS)-2-[3-(1H-indol-3-yl)propyl]-3a,4,7,7a-tetrahydroisoindole-1,3-dione
CID 6545921
2-[2-(1H-indol-3-yl)ethyl]-5-methylisoindole-1,3-dione
CID 1204633
(4Z)-4-(dimethylaminomethylidene)-2-[2-(1H-indol-3-yl)ethyl]isoquinoline-1,3-dione
CID 6512110
3-[4-(1H-indol-3-yl)butyl]-1H-indole
CID 57060044
2-[2-(1H-indol-3-yl)ethyl]-4H-isoquinoline-1,3-dione
CID 3775891
2-[2-(1H-indol-3-yl)ethyl]-1,3-dioxoisoindole-5-carboxylic acid
CID 906603
2-[4-(1,3-dioxoisoindol-2-yl)butyl]-1-ethyl-3-[2-(1H-indol-3-yl)ethyl]guanidine;hydroiodide
CID 111826736
(1,3-dioxoisoindol-2-yl)methyl 3-(1H-indol-3-yl)propanoate
CID 5207428
1-[2-(1,3-dioxoisoindol-2-yl)ethyl]-3-ethyl-2-[2-(1H-indol-3-yl)ethyl]guanidine
CID 110995331
3-(1,3-dioxopyrrolo[3,4-c]pyridin-2-yl)-N-[2-(1H-indol-3-yl)ethyl]propanamide
CID 71754941

Frequently Asked Questions

What is the IUPAC name of 2-[3-(1H-indol-3-yl)propyl]isoindole-1,3-dione?
The IUPAC name of 2-[3-(1H-indol-3-yl)propyl]isoindole-1,3-dione (CID 906585) is 2-[3-(1H-indol-3-yl)propyl]isoindole-1,3-dione.
What is the SMILES notation for 2-[3-(1H-indol-3-yl)propyl]isoindole-1,3-dione?
The canonical SMILES for 2-[3-(1H-indol-3-yl)propyl]isoindole-1,3-dione is O=C1c2ccccc2C(=O)N1CCCc1c[nH]c2ccccc12.
What is the InChIKey of 2-[3-(1H-indol-3-yl)propyl]isoindole-1,3-dione?
The InChIKey is LNNLNNPQBNHWLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16N2O2/c22-18-15-8-1-2-9-16(15)19(23)21(18)11-5-6-13-12-20-17-10-4-3-7-14(13)17/h1-4,7-10,12,20H,5-6,11H2.
What are the key properties of 2-[3-(1H-indol-3-yl)propyl]isoindole-1,3-dione?
2-[3-(1H-indol-3-yl)propyl]isoindole-1,3-dione has a molecular weight of 304.35 g/mol, XLogP of 3.40, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(1H-indol-3-yl)propyl]isoindole-1,3-dione is sourced from PubChem (CID 906585), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).