Se-methyl 2-(4-chlorophenyl)-2-cyanopropaneselenoate

C11H10ClNOSe — CID 11011608

IUPACSe-methyl 2-(4-chlorophenyl)-2-cyanopropaneselenoate
SMILESC[Se]C(=O)C(C)(C#N)c1ccc(Cl)cc1
InChIInChI=1S/C11H10ClNOSe/c1-11(7-13,10(14)15-2)8-3-5-9(12)6-4-8/h3-6H,1-2H3
InChIKeyGQOLCQCDTXNJCD-UHFFFAOYSA-N
MW286.62 g/mol
LogP2.40
Rot. Bonds3

About Se-methyl 2-(4-chlorophenyl)-2-cyanopropaneselenoate

Se-methyl 2-(4-chlorophenyl)-2-cyanopropaneselenoate (PubChem CID 11011608) has the molecular formula C11H10ClNOSe and a molecular weight of 286.62 g/mol. Its IUPAC name is Se-methyl 2-(4-chlorophenyl)-2-cyanopropaneselenoate.

Molecular Properties

Compound NameSe-methyl 2-(4-chlorophenyl)-2-cyanopropaneselenoate
PubChem CID11011608
Molecular FormulaC11H10ClNOSe
Molecular Weight286.62 g/mol
Exact Mass286.96
IUPAC NameSe-methyl 2-(4-chlorophenyl)-2-cyanopropaneselenoate
SMILESC[Se]C(=O)C(C)(C#N)c1ccc(Cl)cc1
InChIInChI=1S/C11H10ClNOSe/c1-11(7-13,10(14)15-2)8-3-5-9(12)6-4-8/h3-6H,1-2H3
InChIKeyGQOLCQCDTXNJCD-UHFFFAOYSA-N
XLogP2.40
TPSA40.86 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.62
LogP ≤ 52.40
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

Se-methyl 2-cyano-2-phenylpropaneselenoate
CID 15778728
2-(4-chlorophenyl)-2-hydroxypropanoic acid
CID 10013044
bis(1-tert-butyl-4-chlorobenzene);hydrate
CID 91871679
2-(4-chlorophenyl)-2,2-dihydroxyacetonitrile
CID 143794107
2-(4-chlorophenyl)-2,2-difluoroacetonitrile
CID 23568092
2-(4-chlorophenyl)-N,N,2-trimethylpropanamide
CID 71939020
2-(4-chlorophenyl)-N,2-dihydroxy-N-methylpropanamide
CID 14787850
2,2,3,3-tetrakis(4-chlorophenyl)butanedinitrile
CID 11049629
methyl (2S)-2-(4-chlorophenyl)-2-cyano-2-fluoroacetate
CID 135055714
2-[2-(4-chlorophenyl)propan-2-yl]propanedioic acid
CID 90150684
2-[4-(4-chlorophenyl)phenyl]-2-methylpropanoic acid
CID 82039106
2-(4-chlorophenyl)-4-cyano-2-methylbutanoic acid
CID 117049620

Frequently Asked Questions

What is the IUPAC name of Se-methyl 2-(4-chlorophenyl)-2-cyanopropaneselenoate?
The IUPAC name of Se-methyl 2-(4-chlorophenyl)-2-cyanopropaneselenoate (CID 11011608) is Se-methyl 2-(4-chlorophenyl)-2-cyanopropaneselenoate.
What is the SMILES notation for Se-methyl 2-(4-chlorophenyl)-2-cyanopropaneselenoate?
The canonical SMILES for Se-methyl 2-(4-chlorophenyl)-2-cyanopropaneselenoate is C[Se]C(=O)C(C)(C#N)c1ccc(Cl)cc1.
What is the InChIKey of Se-methyl 2-(4-chlorophenyl)-2-cyanopropaneselenoate?
The InChIKey is GQOLCQCDTXNJCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10ClNOSe/c1-11(7-13,10(14)15-2)8-3-5-9(12)6-4-8/h3-6H,1-2H3.
What are the key properties of Se-methyl 2-(4-chlorophenyl)-2-cyanopropaneselenoate?
Se-methyl 2-(4-chlorophenyl)-2-cyanopropaneselenoate has a molecular weight of 286.62 g/mol, XLogP of 2.40, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for Se-methyl 2-(4-chlorophenyl)-2-cyanopropaneselenoate is sourced from PubChem (CID 11011608), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).