5-morpholin-4-yl-1H-indole-2,3-dione

C12H12N2O3 — CID 16781550

IUPAC5-morpholin-4-yl-1H-indole-2,3-dione
SMILESO=C1Nc2ccc(N3CCOCC3)cc2C1=O
InChIInChI=1S/C12H12N2O3/c15-11-9-7-8(14-3-5-17-6-4-14)1-2-10(9)13-12(11)16/h1-2,7H,3-6H2,(H,13,15,16)
InChIKeyBYYQLPVFTRVCDW-UHFFFAOYSA-N
MW232.24 g/mol
LogP0.66
Rot. Bonds1

About 5-morpholin-4-yl-1H-indole-2,3-dione

5-morpholin-4-yl-1H-indole-2,3-dione (PubChem CID 16781550) has the molecular formula C12H12N2O3 and a molecular weight of 232.24 g/mol. Its IUPAC name is 5-morpholin-4-yl-1H-indole-2,3-dione.

Molecular Properties

Compound Name5-morpholin-4-yl-1H-indole-2,3-dione
PubChem CID16781550
Molecular FormulaC12H12N2O3
Molecular Weight232.24 g/mol
Exact Mass232.08
IUPAC Name5-morpholin-4-yl-1H-indole-2,3-dione
SMILESO=C1Nc2ccc(N3CCOCC3)cc2C1=O
InChIInChI=1S/C12H12N2O3/c15-11-9-7-8(14-3-5-17-6-4-14)1-2-10(9)13-12(11)16/h1-2,7H,3-6H2,(H,13,15,16)
InChIKeyBYYQLPVFTRVCDW-UHFFFAOYSA-N
XLogP0.66
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.24
LogP ≤ 50.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

6-pyrrolidin-1-yl-1H-indole-2,3-dione
CID 39871032
5-chloro-3-[(4-morpholin-4-ylphenyl)methylidene]-1H-indol-2-one
CID 3301155
(3Z)-3-[(4-morpholin-4-ylphenyl)methylidene]-1H-indol-2-one
CID 2379240
4-methyl-8-morpholin-4-yl-1,3-dihydro-1,4-benzodiazepine-2,5-dione
CID 91459313
4-(4-morpholin-4-ylphenyl)piperazine-2,6-dione
CID 63787858
4-(4-pyrrolidin-1-ylphenyl)morpholine
CID 67305085
6-(4-butan-2-ylpiperazin-1-yl)-1H-indole-2,3-dione
CID 62775009
(3Z)-6-chloro-3-[(2-methoxy-4-morpholin-4-ylphenyl)methylidene]-1H-indol-2-one
CID 6511886
3-hydroxy-6-(1,4-oxazepan-4-yl)-1,3-dihydroindol-2-one
CID 62974329
ethane;5-methyl-1H-indole-2,3-dione
CID 167465051
6-morpholin-4-yl-3,4-dihydro-2H-naphthalen-1-one
CID 13179501
6-morpholin-4-ylspiro[1,2-dihydroindene-3,5'-1,3-oxazolidine]-2',4'-dione
CID 118957454

Frequently Asked Questions

What is the IUPAC name of 5-morpholin-4-yl-1H-indole-2,3-dione?
The IUPAC name of 5-morpholin-4-yl-1H-indole-2,3-dione (CID 16781550) is 5-morpholin-4-yl-1H-indole-2,3-dione.
What is the SMILES notation for 5-morpholin-4-yl-1H-indole-2,3-dione?
The canonical SMILES for 5-morpholin-4-yl-1H-indole-2,3-dione is O=C1Nc2ccc(N3CCOCC3)cc2C1=O.
What is the InChIKey of 5-morpholin-4-yl-1H-indole-2,3-dione?
The InChIKey is BYYQLPVFTRVCDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12N2O3/c15-11-9-7-8(14-3-5-17-6-4-14)1-2-10(9)13-12(11)16/h1-2,7H,3-6H2,(H,13,15,16).
What are the key properties of 5-morpholin-4-yl-1H-indole-2,3-dione?
5-morpholin-4-yl-1H-indole-2,3-dione has a molecular weight of 232.24 g/mol, XLogP of 0.66, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-morpholin-4-yl-1H-indole-2,3-dione is sourced from PubChem (CID 16781550), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).