N,N-diethylcarbamoselenoate

C5H10NOSe- — CID 137316023

IUPACN,N-diethylcarbamoselenoate
SMILESCCN(CC)C(=O)[Se-]
InChIInChI=1S/C5H11NOSe/c1-3-6(4-2)5(7)8/h3-4H2,1-2H3,(H,7,8)/p-1
InChIKeyITNUQHPBTIXBOU-UHFFFAOYSA-M
MW179.10 g/mol
LogP0.62
Rot. Bonds2

About N,N-diethylcarbamoselenoate

N,N-diethylcarbamoselenoate (PubChem CID 137316023) has the molecular formula C5H10NOSe- and a molecular weight of 179.10 g/mol. Its IUPAC name is N,N-diethylcarbamoselenoate.

Molecular Properties

Compound NameN,N-diethylcarbamoselenoate
PubChem CID137316023
Molecular FormulaC5H10NOSe-
Molecular Weight179.10 g/mol
Exact Mass179.99
IUPAC NameN,N-diethylcarbamoselenoate
SMILESCCN(CC)C(=O)[Se-]
InChIInChI=1S/C5H11NOSe/c1-3-6(4-2)5(7)8/h3-4H2,1-2H3,(H,7,8)/p-1
InChIKeyITNUQHPBTIXBOU-UHFFFAOYSA-M
XLogP0.62
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.10
LogP ≤ 50.62
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

Diethylformamide
CID 12051
Diethylcarbamoyl fluoride
CID 12750942
Diethylaminomethanone
CID 59896870
Se-butyl N,N-diethylcarbamoselenoate
CID 12504372
Lithium diethylaminomethanone
CID 14982489
3-Ethyl-1,3-selenazolidin-2-one
CID 102137344
Diethylcarbamothioate
CID 4400324
CID 21059295
CID 21059295
N,N-diethylcarbamoyl bromide
CID 53895724
Diethylaminomethanone;rubidium(1+)
CID 57770417
CID 87107751
CID 87107751
Diethyl-formyl-methylazanium
CID 87535283

Frequently Asked Questions

What is the IUPAC name of N,N-diethylcarbamoselenoate?
The IUPAC name of N,N-diethylcarbamoselenoate (CID 137316023) is N,N-diethylcarbamoselenoate.
What is the SMILES notation for N,N-diethylcarbamoselenoate?
The canonical SMILES for N,N-diethylcarbamoselenoate is CCN(CC)C(=O)[Se-].
What is the InChIKey of N,N-diethylcarbamoselenoate?
The InChIKey is ITNUQHPBTIXBOU-UHFFFAOYSA-M. The full InChI is InChI=1S/C5H11NOSe/c1-3-6(4-2)5(7)8/h3-4H2,1-2H3,(H,7,8)/p-1.
What are the key properties of N,N-diethylcarbamoselenoate?
N,N-diethylcarbamoselenoate has a molecular weight of 179.10 g/mol, XLogP of 0.62, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diethylcarbamoselenoate is sourced from PubChem (CID 137316023), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).