1-(2-methyl-1H-indol-3-yl)-2-morpholin-4-ylethane-1,2-dione

C15H16N2O3 — CID 2992400

IUPAC1-(2-methyl-1H-indol-3-yl)-2-morpholin-4-ylethane-1,2-dione
SMILESCc1[nH]c2ccccc2c1C(=O)C(=O)N1CCOCC1
InChIInChI=1S/C15H16N2O3/c1-10-13(11-4-2-3-5-12(11)16-10)14(18)15(19)17-6-8-20-9-7-17/h2-5,16H,6-9H2,1H3
InChIKeyGNQDCTJOGTWVHW-UHFFFAOYSA-N
MW272.30 g/mol
LogP1.52
Rot. Bonds2

About 1-(2-methyl-1H-indol-3-yl)-2-morpholin-4-ylethane-1,2-dione

1-(2-methyl-1H-indol-3-yl)-2-morpholin-4-ylethane-1,2-dione (PubChem CID 2992400) has the molecular formula C15H16N2O3 and a molecular weight of 272.30 g/mol. Its IUPAC name is 1-(2-methyl-1H-indol-3-yl)-2-morpholin-4-ylethane-1,2-dione.

Molecular Properties

Compound Name1-(2-methyl-1H-indol-3-yl)-2-morpholin-4-ylethane-1,2-dione
PubChem CID2992400
Molecular FormulaC15H16N2O3
Molecular Weight272.30 g/mol
Exact Mass272.12
IUPAC Name1-(2-methyl-1H-indol-3-yl)-2-morpholin-4-ylethane-1,2-dione
SMILESCc1[nH]c2ccccc2c1C(=O)C(=O)N1CCOCC1
InChIInChI=1S/C15H16N2O3/c1-10-13(11-4-2-3-5-12(11)16-10)14(18)15(19)17-6-8-20-9-7-17/h2-5,16H,6-9H2,1H3
InChIKeyGNQDCTJOGTWVHW-UHFFFAOYSA-N
XLogP1.52
TPSA62.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.30
LogP ≤ 51.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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 1-(2-methyl-1H-indol-3-yl)-2-morpholin-4-ylethane-1,2-dione?
The IUPAC name of 1-(2-methyl-1H-indol-3-yl)-2-morpholin-4-ylethane-1,2-dione (CID 2992400) is 1-(2-methyl-1H-indol-3-yl)-2-morpholin-4-ylethane-1,2-dione.
What is the SMILES notation for 1-(2-methyl-1H-indol-3-yl)-2-morpholin-4-ylethane-1,2-dione?
The canonical SMILES for 1-(2-methyl-1H-indol-3-yl)-2-morpholin-4-ylethane-1,2-dione is Cc1[nH]c2ccccc2c1C(=O)C(=O)N1CCOCC1.
What is the InChIKey of 1-(2-methyl-1H-indol-3-yl)-2-morpholin-4-ylethane-1,2-dione?
The InChIKey is GNQDCTJOGTWVHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N2O3/c1-10-13(11-4-2-3-5-12(11)16-10)14(18)15(19)17-6-8-20-9-7-17/h2-5,16H,6-9H2,1H3.
What are the key properties of 1-(2-methyl-1H-indol-3-yl)-2-morpholin-4-ylethane-1,2-dione?
1-(2-methyl-1H-indol-3-yl)-2-morpholin-4-ylethane-1,2-dione has a molecular weight of 272.30 g/mol, XLogP of 1.52, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methyl-1H-indol-3-yl)-2-morpholin-4-ylethane-1,2-dione is sourced from PubChem (CID 2992400), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).