3-imino-4-(1H-indol-3-yl)pyrrolidine-2,5-dione

C12H9N3O2 — CID 56977887

IUPAC3-imino-4-(1H-indol-3-yl)pyrrolidine-2,5-dione
SMILES[H]/N=C1\C(=O)NC(=O)C1c1c[nH]c2ccccc12
InChIInChI=1S/C12H9N3O2/c13-10-9(11(16)15-12(10)17)7-5-14-8-4-2-1-3-6(7)8/h1-5,9,13-14H,(H,15,16,17)/b13-10-
InChIKeyUVSPCIVREPSYMT-RAXLEYEMSA-N
MW227.22 g/mol
LogP0.93
Rot. Bonds1

About 3-imino-4-(1H-indol-3-yl)pyrrolidine-2,5-dione

3-imino-4-(1H-indol-3-yl)pyrrolidine-2,5-dione (PubChem CID 56977887) has the molecular formula C12H9N3O2 and a molecular weight of 227.22 g/mol. Its IUPAC name is 3-imino-4-(1H-indol-3-yl)pyrrolidine-2,5-dione.

Molecular Properties

Compound Name3-imino-4-(1H-indol-3-yl)pyrrolidine-2,5-dione
PubChem CID56977887
Molecular FormulaC12H9N3O2
Molecular Weight227.22 g/mol
Exact Mass227.07
IUPAC Name3-imino-4-(1H-indol-3-yl)pyrrolidine-2,5-dione
SMILES[H]/N=C1\C(=O)NC(=O)C1c1c[nH]c2ccccc12
InChIInChI=1S/C12H9N3O2/c13-10-9(11(16)15-12(10)17)7-5-14-8-4-2-1-3-6(7)8/h1-5,9,13-14H,(H,15,16,17)/b13-10-
InChIKeyUVSPCIVREPSYMT-RAXLEYEMSA-N
XLogP0.93
TPSA85.81 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.22
LogP ≤ 50.93
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'phthalimide', 'substructure': 'N/A'}

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Related Compounds

4-bromo-3-(1H-indol-3-yl)-1,3-dihydroindol-2-one
CID 155758572
3-[5-(2-aminoethylamino)pentylimino]-4-(1H-indol-3-yl)pyrrolidine-2,5-dione
CID 91108684
(5S)-5-(1H-indol-3-yl)-1,3-oxazolidine-2,4-dione
CID 125484828
(5R)-5-(1H-indol-3-yl)-1,3-oxazolidine-2,4-dione
CID 125484827
(4R)-4-(1H-indol-3-yl)-5,5-diphenylcyclopent-2-en-1-one
CID 164668605
(4S)-4-(1H-indol-3-yl)-5,5-diphenylcyclopent-2-en-1-one
CID 139095017
4-(1H-indol-3-yl)azetidin-2-one
CID 55255346
2-(1H-indol-3-yl)-4H-1,4-benzothiazin-3-one
CID 4794447
(3R,4S)-4-(1H-indol-3-yl)-2-oxopyrrolidine-3-carboxylic acid
CID 15516005
(5R)-3,5-bis(1H-indol-3-yl)piperazin-2-one
CID 22833237
8-(1H-indol-3-yl)-11-azatetracyclo[7.6.1.02,7.012,16]hexadeca-1(16),2,4,6,9,12,14-heptaene
CID 139526372
(3S)-3-(1H-indol-3-yl)-3H-2-benzofuran-1-one
CID 36690022

Frequently Asked Questions

What is the IUPAC name of 3-imino-4-(1H-indol-3-yl)pyrrolidine-2,5-dione?
The IUPAC name of 3-imino-4-(1H-indol-3-yl)pyrrolidine-2,5-dione (CID 56977887) is 3-imino-4-(1H-indol-3-yl)pyrrolidine-2,5-dione.
What is the SMILES notation for 3-imino-4-(1H-indol-3-yl)pyrrolidine-2,5-dione?
The canonical SMILES for 3-imino-4-(1H-indol-3-yl)pyrrolidine-2,5-dione is [H]/N=C1\C(=O)NC(=O)C1c1c[nH]c2ccccc12.
What is the InChIKey of 3-imino-4-(1H-indol-3-yl)pyrrolidine-2,5-dione?
The InChIKey is UVSPCIVREPSYMT-RAXLEYEMSA-N. The full InChI is InChI=1S/C12H9N3O2/c13-10-9(11(16)15-12(10)17)7-5-14-8-4-2-1-3-6(7)8/h1-5,9,13-14H,(H,15,16,17)/b13-10-.
What are the key properties of 3-imino-4-(1H-indol-3-yl)pyrrolidine-2,5-dione?
3-imino-4-(1H-indol-3-yl)pyrrolidine-2,5-dione has a molecular weight of 227.22 g/mol, XLogP of 0.93, 1 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-imino-4-(1H-indol-3-yl)pyrrolidine-2,5-dione is sourced from PubChem (CID 56977887), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).