2-cyclohexyl-1,3-selenazolidine-4-carboxylic acid

C10H17NO2Se — CID 73383317

IUPAC2-cyclohexyl-1,3-selenazolidine-4-carboxylic acid
SMILESO=C(O)C1C[Se]C(C2CCCCC2)N1
InChIInChI=1S/C10H17NO2Se/c12-10(13)8-6-14-9(11-8)7-4-2-1-3-5-7/h7-9,11H,1-6H2,(H,12,13)
InChIKeyGTGQQQQECOWZPP-UHFFFAOYSA-N
MW262.21 g/mol
LogP1.07
Rot. Bonds2

About 2-cyclohexyl-1,3-selenazolidine-4-carboxylic acid

2-cyclohexyl-1,3-selenazolidine-4-carboxylic acid (PubChem CID 73383317) has the molecular formula C10H17NO2Se and a molecular weight of 262.21 g/mol. Its IUPAC name is 2-cyclohexyl-1,3-selenazolidine-4-carboxylic acid.

Molecular Properties

Compound Name2-cyclohexyl-1,3-selenazolidine-4-carboxylic acid
PubChem CID73383317
Molecular FormulaC10H17NO2Se
Molecular Weight262.21 g/mol
Exact Mass263.04
IUPAC Name2-cyclohexyl-1,3-selenazolidine-4-carboxylic acid
SMILESO=C(O)C1C[Se]C(C2CCCCC2)N1
InChIInChI=1S/C10H17NO2Se/c12-10(13)8-6-14-9(11-8)7-4-2-1-3-5-7/h7-9,11H,1-6H2,(H,12,13)
InChIKeyGTGQQQQECOWZPP-UHFFFAOYSA-N
XLogP1.07
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.21
LogP ≤ 51.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-cyclohexyl-1,3-selenazolidine-4-carboxylic acid?
The IUPAC name of 2-cyclohexyl-1,3-selenazolidine-4-carboxylic acid (CID 73383317) is 2-cyclohexyl-1,3-selenazolidine-4-carboxylic acid.
What is the SMILES notation for 2-cyclohexyl-1,3-selenazolidine-4-carboxylic acid?
The canonical SMILES for 2-cyclohexyl-1,3-selenazolidine-4-carboxylic acid is O=C(O)C1C[Se]C(C2CCCCC2)N1.
What is the InChIKey of 2-cyclohexyl-1,3-selenazolidine-4-carboxylic acid?
The InChIKey is GTGQQQQECOWZPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17NO2Se/c12-10(13)8-6-14-9(11-8)7-4-2-1-3-5-7/h7-9,11H,1-6H2,(H,12,13).
What are the key properties of 2-cyclohexyl-1,3-selenazolidine-4-carboxylic acid?
2-cyclohexyl-1,3-selenazolidine-4-carboxylic acid has a molecular weight of 262.21 g/mol, XLogP of 1.07, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclohexyl-1,3-selenazolidine-4-carboxylic acid is sourced from PubChem (CID 73383317), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).