1-(1-methylindol-3-yl)-2-morpholin-4-ylethane-1,2-dione

C15H16N2O3 — CID 2057159

IUPAC1-(1-methylindol-3-yl)-2-morpholin-4-ylethane-1,2-dione
SMILESCn1cc(C(=O)C(=O)N2CCOCC2)c2ccccc21
InChIInChI=1S/C15H16N2O3/c1-16-10-12(11-4-2-3-5-13(11)16)14(18)15(19)17-6-8-20-9-7-17/h2-5,10H,6-9H2,1H3
InChIKeyVXSXNCFOMAYFEE-UHFFFAOYSA-N
MW272.30 g/mol
LogP1.22
Rot. Bonds2

About 1-(1-methylindol-3-yl)-2-morpholin-4-ylethane-1,2-dione

1-(1-methylindol-3-yl)-2-morpholin-4-ylethane-1,2-dione (PubChem CID 2057159) has the molecular formula C15H16N2O3 and a molecular weight of 272.30 g/mol. Its IUPAC name is 1-(1-methylindol-3-yl)-2-morpholin-4-ylethane-1,2-dione.

Molecular Properties

Compound Name1-(1-methylindol-3-yl)-2-morpholin-4-ylethane-1,2-dione
PubChem CID2057159
Molecular FormulaC15H16N2O3
Molecular Weight272.30 g/mol
Exact Mass272.12
IUPAC Name1-(1-methylindol-3-yl)-2-morpholin-4-ylethane-1,2-dione
SMILESCn1cc(C(=O)C(=O)N2CCOCC2)c2ccccc21
InChIInChI=1S/C15H16N2O3/c1-16-10-12(11-4-2-3-5-13(11)16)14(18)15(19)17-6-8-20-9-7-17/h2-5,10H,6-9H2,1H3
InChIKeyVXSXNCFOMAYFEE-UHFFFAOYSA-N
XLogP1.22
TPSA51.54 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.30
LogP ≤ 51.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

Jwh-200
CID 10045570
(1-(2-(4-Morpholinyl)ethyl)-1H-indol-3-yl)(2,2,3,3-tetramethylcyclopropyl)methanone
CID 11584525
(1-pentyl-1H-indol-3-yl)(2,2,3,3-tetramethylcyclopropyl)methanone
CID 44626619
1-((N-Methyl-2-piperidinyl)methyl)-3-(2-iodobenzoyl)-1H-indole
CID 10226340
(1-((Tetrahydro-2H-pyran-4-yl)methyl)-1H-indol-3-yl)(2,2,3,3-tetramethylcyclopropyl)methanone
CID 11544639
L-Valine, N-((1-(5-fluoropentyl)-1H-indol-3-yl)carbonyl)-3-methyl-, methyl ester
CID 129597835
(1-(2-Morpholin-4-ylethyl)indol-3-yl)-4-methylnaphthalen-1-ylmethanone
CID 10250276
2-(2-Methylphenyl)-1-(1-pentyl-1H-indol-3-yl)ethanone
CID 11616723
[1-[(1-Methylpiperidin-2-yl)methyl]indol-3-yl]-(2,2,3,3-tetramethylcyclopropyl)methanone
CID 11537652
1-(1H-Indol-3-yl)-2-(1-piperidinyl)ethanone
CID 34864
Olinone
CID 91668531
1-Methyl-1H-indole-3-carbaldehyde
CID 87894

Frequently Asked Questions

What is the IUPAC name of 1-(1-methylindol-3-yl)-2-morpholin-4-ylethane-1,2-dione?
The IUPAC name of 1-(1-methylindol-3-yl)-2-morpholin-4-ylethane-1,2-dione (CID 2057159) is 1-(1-methylindol-3-yl)-2-morpholin-4-ylethane-1,2-dione.
What is the SMILES notation for 1-(1-methylindol-3-yl)-2-morpholin-4-ylethane-1,2-dione?
The canonical SMILES for 1-(1-methylindol-3-yl)-2-morpholin-4-ylethane-1,2-dione is Cn1cc(C(=O)C(=O)N2CCOCC2)c2ccccc21.
What is the InChIKey of 1-(1-methylindol-3-yl)-2-morpholin-4-ylethane-1,2-dione?
The InChIKey is VXSXNCFOMAYFEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N2O3/c1-16-10-12(11-4-2-3-5-13(11)16)14(18)15(19)17-6-8-20-9-7-17/h2-5,10H,6-9H2,1H3.
What are the key properties of 1-(1-methylindol-3-yl)-2-morpholin-4-ylethane-1,2-dione?
1-(1-methylindol-3-yl)-2-morpholin-4-ylethane-1,2-dione has a molecular weight of 272.30 g/mol, XLogP of 1.22, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-methylindol-3-yl)-2-morpholin-4-ylethane-1,2-dione is sourced from PubChem (CID 2057159), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).