1-(4-methyl-3-phenylselanylindol-1-yl)ethanone

C17H15NOSe — CID 135051639

IUPAC1-(4-methyl-3-phenylselanylindol-1-yl)ethanone
SMILESCC(=O)n1cc([Se]c2ccccc2)c2c(C)cccc21
InChIInChI=1S/C17H15NOSe/c1-12-7-6-10-15-17(12)16(11-18(15)13(2)19)20-14-8-4-3-5-9-14/h3-11H,1-2H3
InChIKeyUJYMKSIPNMJPID-UHFFFAOYSA-N
MW328.27 g/mol
LogP2.26
Rot. Bonds2

About 1-(4-methyl-3-phenylselanylindol-1-yl)ethanone

1-(4-methyl-3-phenylselanylindol-1-yl)ethanone (PubChem CID 135051639) has the molecular formula C17H15NOSe and a molecular weight of 328.27 g/mol. Its IUPAC name is 1-(4-methyl-3-phenylselanylindol-1-yl)ethanone.

Molecular Properties

Compound Name1-(4-methyl-3-phenylselanylindol-1-yl)ethanone
PubChem CID135051639
Molecular FormulaC17H15NOSe
Molecular Weight328.27 g/mol
Exact Mass329.03
IUPAC Name1-(4-methyl-3-phenylselanylindol-1-yl)ethanone
SMILESCC(=O)n1cc([Se]c2ccccc2)c2c(C)cccc21
InChIInChI=1S/C17H15NOSe/c1-12-7-6-10-15-17(12)16(11-18(15)13(2)19)20-14-8-4-3-5-9-14/h3-11H,1-2H3
InChIKeyUJYMKSIPNMJPID-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'}

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Related Compounds

1-(5-methyl-3-phenylselanylindol-1-yl)ethanone
CID 135051640
(3-amino-4-methylindol-1-yl)-phenylmethanone
CID 101141428
1-(1-acetyl-4-fluoroindol-3-yl)ethanone
CID 141379951
1-(1,4-dimethylindol-3-yl)ethanone
CID 82655711
1-[3-(hydroxymethyl)indol-1-yl]ethanone
CID 24819149
1-(1-ethyl-4-methylindol-3-yl)ethanone
CID 117119610
1-(4-methylbenzotriazol-1-yl)ethanone
CID 134294737
2-(1-acetylindol-3-yl)-1-phenylethanone
CID 15749679
2-(2-methyl-6-phenylselanylphenyl)pyrimidine
CID 132512136
1-cyclopropyl-4-methylindole-3-carboxylic acid
CID 115029078
2-acetyl-9-benzyl-4-methylpyrido[3,4-b]indol-1-one
CID 102516280
2-(2,3,4-trimethylindol-1-yl)acetic acid
CID 21386792

Frequently Asked Questions

What is the IUPAC name of 1-(4-methyl-3-phenylselanylindol-1-yl)ethanone?
The IUPAC name of 1-(4-methyl-3-phenylselanylindol-1-yl)ethanone (CID 135051639) is 1-(4-methyl-3-phenylselanylindol-1-yl)ethanone.
What is the SMILES notation for 1-(4-methyl-3-phenylselanylindol-1-yl)ethanone?
The canonical SMILES for 1-(4-methyl-3-phenylselanylindol-1-yl)ethanone is CC(=O)n1cc([Se]c2ccccc2)c2c(C)cccc21.
What is the InChIKey of 1-(4-methyl-3-phenylselanylindol-1-yl)ethanone?
The InChIKey is UJYMKSIPNMJPID-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15NOSe/c1-12-7-6-10-15-17(12)16(11-18(15)13(2)19)20-14-8-4-3-5-9-14/h3-11H,1-2H3.
What are the key properties of 1-(4-methyl-3-phenylselanylindol-1-yl)ethanone?
1-(4-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-(4-methyl-3-phenylselanylindol-1-yl)ethanone is sourced from PubChem (CID 135051639), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).