3-(4-methylphenyl)-1,3-selenazolidin-2-one

C10H11NOSe — CID 102032359

IUPAC3-(4-methylphenyl)-1,3-selenazolidin-2-one
SMILESCc1ccc(N2CC[Se]C2=O)cc1
InChIInChI=1S/C10H11NOSe/c1-8-2-4-9(5-3-8)11-6-7-13-10(11)12/h2-5H,6-7H2,1H3
InChIKeyGKNFEWSBERVJGM-UHFFFAOYSA-N
MW240.16 g/mol
LogP2.06
Rot. Bonds1

About 3-(4-methylphenyl)-1,3-selenazolidin-2-one

3-(4-methylphenyl)-1,3-selenazolidin-2-one (PubChem CID 102032359) has the molecular formula C10H11NOSe and a molecular weight of 240.16 g/mol. Its IUPAC name is 3-(4-methylphenyl)-1,3-selenazolidin-2-one.

Molecular Properties

Compound Name3-(4-methylphenyl)-1,3-selenazolidin-2-one
PubChem CID102032359
Molecular FormulaC10H11NOSe
Molecular Weight240.16 g/mol
Exact Mass241.00
IUPAC Name3-(4-methylphenyl)-1,3-selenazolidin-2-one
SMILESCc1ccc(N2CC[Se]C2=O)cc1
InChIInChI=1S/C10H11NOSe/c1-8-2-4-9(5-3-8)11-6-7-13-10(11)12/h2-5H,6-7H2,1H3
InChIKeyGKNFEWSBERVJGM-UHFFFAOYSA-N
XLogP2.06
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.16
LogP ≤ 52.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

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CID 75335
N,N-diethyl-p-toluidine
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4-(2,4-Cyclopentadien-1-ylidenemethyl)-N,N-dimethylaniline
CID 256312
2-Methyl-4-(4-methylphenyl)-1,2,4-thiadiazolidine-3,5-dione
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(4-Pyrrolidin-1-ylbenzylidene)malononitrile
CID 963287
1-(2,3-dihydro-1H-indol-1-yl)prop-2-en-1-one
CID 23317889
1-(2-methyl-2,3-dihydro-1H-indol-1-yl)ethan-1-one
CID 4308221
Propanamide, N-ethyl-N-(3-methylphenyl)-
CID 44150680
4-Methyl-2-(4-methylphenyl)-1,2,4-thiadiazolidine-3,5-dione
CID 70692383
4-Butyl-2-(4-methylphenyl)-1,2,4-thiadiazolidine-3,5-dione
CID 70694437

Frequently Asked Questions

What is the IUPAC name of 3-(4-methylphenyl)-1,3-selenazolidin-2-one?
The IUPAC name of 3-(4-methylphenyl)-1,3-selenazolidin-2-one (CID 102032359) is 3-(4-methylphenyl)-1,3-selenazolidin-2-one.
What is the SMILES notation for 3-(4-methylphenyl)-1,3-selenazolidin-2-one?
The canonical SMILES for 3-(4-methylphenyl)-1,3-selenazolidin-2-one is Cc1ccc(N2CC[Se]C2=O)cc1.
What is the InChIKey of 3-(4-methylphenyl)-1,3-selenazolidin-2-one?
The InChIKey is GKNFEWSBERVJGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11NOSe/c1-8-2-4-9(5-3-8)11-6-7-13-10(11)12/h2-5H,6-7H2,1H3.
What are the key properties of 3-(4-methylphenyl)-1,3-selenazolidin-2-one?
3-(4-methylphenyl)-1,3-selenazolidin-2-one has a molecular weight of 240.16 g/mol, XLogP of 2.06, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-methylphenyl)-1,3-selenazolidin-2-one is sourced from PubChem (CID 102032359), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).