1-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]indole-2,3-dione

C18H14N2O3 — CID 2207715

IUPAC1-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]indole-2,3-dione
SMILESO=C1C(=O)N(CC(=O)N2CCc3ccccc32)c2ccccc21
InChIInChI=1S/C18H14N2O3/c21-16(19-10-9-12-5-1-3-7-14(12)19)11-20-15-8-4-2-6-13(15)17(22)18(20)23/h1-8H,9-11H2
InChIKeyUGEMZLGWZIBSME-UHFFFAOYSA-N
MW306.32 g/mol
LogP1.81
Rot. Bonds2

About 1-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]indole-2,3-dione

1-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]indole-2,3-dione (PubChem CID 2207715) has the molecular formula C18H14N2O3 and a molecular weight of 306.32 g/mol. Its IUPAC name is 1-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]indole-2,3-dione.

Molecular Properties

Compound Name1-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]indole-2,3-dione
PubChem CID2207715
Molecular FormulaC18H14N2O3
Molecular Weight306.32 g/mol
Exact Mass306.10
IUPAC Name1-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]indole-2,3-dione
SMILESO=C1C(=O)N(CC(=O)N2CCc3ccccc32)c2ccccc21
InChIInChI=1S/C18H14N2O3/c21-16(19-10-9-12-5-1-3-7-14(12)19)11-20-15-8-4-2-6-13(15)17(22)18(20)23/h1-8H,9-11H2
InChIKeyUGEMZLGWZIBSME-UHFFFAOYSA-N
XLogP1.81
TPSA57.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.32
LogP ≤ 51.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

[(2S)-1-(2,3-dihydroindol-1-yl)-1-oxopropan-2-yl] 2-(2,3-dioxoindol-1-yl)acetate
CID 7804451
4-amino-2-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]isoindole-1,3-dione
CID 2437704
1,4-bis(2,3-dihydroindol-1-yl)butane-1,4-dione
CID 741114
1-(2,3-dihydroindol-1-yl)-2-pyrrol-1-ylethanone
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2-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]-5-nitroisoindole-1,3-dione
CID 2346726
5-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]-2,3-dihydro-1,5-benzothiazepin-4-one
CID 6620021
1,6-bis(2,3-dihydroindol-1-yl)hexane-1,6-dione
CID 3096475
2-[3-(2,3-dihydroindol-1-yl)-3-oxopropyl]benzo[de]isoquinoline-1,3-dione
CID 113202446
2-(2,3-dihydroindol-1-yl)-2-oxoethanesulfonyl chloride
CID 99980595
1-(2,3-dihydroindol-1-yl)-2-(3-hydroxyazetidin-1-yl)ethanone
CID 63282171
1-(2,3-dihydroindol-1-yl)-2-[2-(2,3-dihydroindol-1-yl)-2-oxoethoxy]ethanone
CID 3405769
2-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]-3a,4,7,7a-tetrahydroisoindole-1,3-dione
CID 17424794

Frequently Asked Questions

What is the IUPAC name of 1-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]indole-2,3-dione?
The IUPAC name of 1-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]indole-2,3-dione (CID 2207715) is 1-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]indole-2,3-dione.
What is the SMILES notation for 1-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]indole-2,3-dione?
The canonical SMILES for 1-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]indole-2,3-dione is O=C1C(=O)N(CC(=O)N2CCc3ccccc32)c2ccccc21.
What is the InChIKey of 1-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]indole-2,3-dione?
The InChIKey is UGEMZLGWZIBSME-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14N2O3/c21-16(19-10-9-12-5-1-3-7-14(12)19)11-20-15-8-4-2-6-13(15)17(22)18(20)23/h1-8H,9-11H2.
What are the key properties of 1-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]indole-2,3-dione?
1-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]indole-2,3-dione has a molecular weight of 306.32 g/mol, XLogP of 1.81, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]indole-2,3-dione is sourced from PubChem (CID 2207715), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).