1-(5-methyl-3-phenylselanylindol-1-yl)ethanone

C17H15NOSe — CID 135051640

IUPAC1-(5-methyl-3-phenylselanylindol-1-yl)ethanone
SMILESCC(=O)n1cc([Se]c2ccccc2)c2cc(C)ccc21
InChIInChI=1S/C17H15NOSe/c1-12-8-9-16-15(10-12)17(11-18(16)13(2)19)20-14-6-4-3-5-7-14/h3-11H,1-2H3
InChIKeyDPQIBIJMBBJNIL-UHFFFAOYSA-N
MW328.27 g/mol
LogP2.26
Rot. Bonds2

About 1-(5-methyl-3-phenylselanylindol-1-yl)ethanone

1-(5-methyl-3-phenylselanylindol-1-yl)ethanone (PubChem CID 135051640) has the molecular formula C17H15NOSe and a molecular weight of 328.27 g/mol. Its IUPAC name is 1-(5-methyl-3-phenylselanylindol-1-yl)ethanone.

Molecular Properties

Compound Name1-(5-methyl-3-phenylselanylindol-1-yl)ethanone
PubChem CID135051640
Molecular FormulaC17H15NOSe
Molecular Weight328.27 g/mol
Exact Mass329.03
IUPAC Name1-(5-methyl-3-phenylselanylindol-1-yl)ethanone
SMILESCC(=O)n1cc([Se]c2ccccc2)c2cc(C)ccc21
InChIInChI=1S/C17H15NOSe/c1-12-8-9-16-15(10-12)17(11-18(16)13(2)19)20-14-6-4-3-5-7-14/h3-11H,1-2H3
InChIKeyDPQIBIJMBBJNIL-UHFFFAOYSA-N
XLogP2.26
TPSA22.00 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.27
LogP ≤ 52.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 1-(5-methyl-3-phenylselanylindol-1-yl)ethanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(4-methyl-3-phenylselanylindol-1-yl)ethanone
CID 135051639
1-(3-hydroxy-6-methylindol-1-yl)ethanone
CID 163207084
1-[3-(hydroxymethyl)indol-1-yl]ethanone
CID 24819149
2-(1-acetylindol-3-yl)-1-phenylethanone
CID 15749679
3-methyl-9-oxidocarbazole
CID 166517305
1-(1-acetylindol-3-yl)-2,2,2-trifluoroethanone
CID 2174852
(E)-4-(1-acetylindol-3-yl)but-3-en-2-one
CID 775095
5-methyl-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2(7),3,5,8,10,12(19),13,15,17-nonaene
CID 59221908
1-[3-[4-(4-methylphenoxy)but-2-ynylsulfanyl]indol-1-yl]ethanone
CID 23658703
2-[(1-acetylindol-3-yl)amino]benzoic acid
CID 755475
2-(1-acetyl-5-chloroindol-3-yl)acetic acid
CID 175397718
16,20-dimethyl-20-azapentacyclo[19.4.0.02,7.08,13.014,19]pentacosa-1(25),2,4,6,8,10,12,14(19),15,17,21,23-dodecaene
CID 164939565

Frequently Asked Questions

What is the IUPAC name of 1-(5-methyl-3-phenylselanylindol-1-yl)ethanone?
The IUPAC name of 1-(5-methyl-3-phenylselanylindol-1-yl)ethanone (CID 135051640) is 1-(5-methyl-3-phenylselanylindol-1-yl)ethanone.
What is the SMILES notation for 1-(5-methyl-3-phenylselanylindol-1-yl)ethanone?
The canonical SMILES for 1-(5-methyl-3-phenylselanylindol-1-yl)ethanone is CC(=O)n1cc([Se]c2ccccc2)c2cc(C)ccc21.
What is the InChIKey of 1-(5-methyl-3-phenylselanylindol-1-yl)ethanone?
The InChIKey is DPQIBIJMBBJNIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15NOSe/c1-12-8-9-16-15(10-12)17(11-18(16)13(2)19)20-14-6-4-3-5-7-14/h3-11H,1-2H3.
What are the key properties of 1-(5-methyl-3-phenylselanylindol-1-yl)ethanone?
1-(5-methyl-3-phenylselanylindol-1-yl)ethanone has a molecular weight of 328.27 g/mol, XLogP of 2.26, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-methyl-3-phenylselanylindol-1-yl)ethanone is sourced from PubChem (CID 135051640), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).