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

C12H12N2O3 — CID 39869096

IUPAC6-morpholin-4-yl-1H-indole-2,3-dione
SMILESO=C1Nc2cc(N3CCOCC3)ccc2C1=O
InChIInChI=1S/C12H12N2O3/c15-11-9-2-1-8(7-10(9)13-12(11)16)14-3-5-17-6-4-14/h1-2,7H,3-6H2,(H,13,15,16)
InChIKeyDIFUJTIWKDSPBP-UHFFFAOYSA-N
MW232.24 g/mol
LogP0.66
Rot. Bonds1

About 6-morpholin-4-yl-1H-indole-2,3-dione

6-morpholin-4-yl-1H-indole-2,3-dione (PubChem CID 39869096) has the molecular formula C12H12N2O3 and a molecular weight of 232.24 g/mol. Its IUPAC name is 6-morpholin-4-yl-1H-indole-2,3-dione.

Molecular Properties

Compound Name6-morpholin-4-yl-1H-indole-2,3-dione
PubChem CID39869096
Molecular FormulaC12H12N2O3
Molecular Weight232.24 g/mol
Exact Mass232.08
IUPAC Name6-morpholin-4-yl-1H-indole-2,3-dione
SMILESO=C1Nc2cc(N3CCOCC3)ccc2C1=O
InChIInChI=1S/C12H12N2O3/c15-11-9-2-1-8(7-10(9)13-12(11)16)14-3-5-17-6-4-14/h1-2,7H,3-6H2,(H,13,15,16)
InChIKeyDIFUJTIWKDSPBP-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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Frequently Asked Questions

What is the IUPAC name of 6-morpholin-4-yl-1H-indole-2,3-dione?
The IUPAC name of 6-morpholin-4-yl-1H-indole-2,3-dione (CID 39869096) is 6-morpholin-4-yl-1H-indole-2,3-dione.
What is the SMILES notation for 6-morpholin-4-yl-1H-indole-2,3-dione?
The canonical SMILES for 6-morpholin-4-yl-1H-indole-2,3-dione is O=C1Nc2cc(N3CCOCC3)ccc2C1=O.
What is the InChIKey of 6-morpholin-4-yl-1H-indole-2,3-dione?
The InChIKey is DIFUJTIWKDSPBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12N2O3/c15-11-9-2-1-8(7-10(9)13-12(11)16)14-3-5-17-6-4-14/h1-2,7H,3-6H2,(H,13,15,16).
What are the key properties of 6-morpholin-4-yl-1H-indole-2,3-dione?
6-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 6-morpholin-4-yl-1H-indole-2,3-dione is sourced from PubChem (CID 39869096), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).