Selenourea, N,N-diethyl-

C5H11N2Se — CID 6328104

IUPAC—
SMILES[H]/N=C(\[Se])N(CC)CC
InChIInChI=1S/C5H11N2Se/c1-3-7(4-2)5(6)8/h6H,3-4H2,1-2H3/b6-5-
InChIKeyUEGLSOSLURUDIU-WAYWQWQTSA-N
MW178.12 g/mol
LogP0.43
Rot. Bonds2

About Selenourea, N,N-diethyl-

Selenourea, N,N-diethyl- (PubChem CID 6328104) has the molecular formula C5H11N2Se and a molecular weight of 178.12 g/mol.

Molecular Properties

Compound NameSelenourea, N,N-diethyl-
PubChem CID6328104
Molecular FormulaC5H11N2Se
Molecular Weight178.12 g/mol
Exact Mass179.01
IUPAC Name—
SMILES[H]/N=C(\[Se])N(CC)CC
InChIInChI=1S/C5H11N2Se/c1-3-7(4-2)5(6)8/h6H,3-4H2,1-2H3/b6-5-
InChIKeyUEGLSOSLURUDIU-WAYWQWQTSA-N
XLogP0.43
TPSA27.09 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.12
LogP ≤ 50.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of Selenourea, N,N-diethyl-?
The IUPAC name of Selenourea, N,N-diethyl- (CID 6328104) is not available.
What is the SMILES notation for Selenourea, N,N-diethyl-?
The canonical SMILES for Selenourea, N,N-diethyl- is [H]/N=C(\[Se])N(CC)CC.
What is the InChIKey of Selenourea, N,N-diethyl-?
The InChIKey is UEGLSOSLURUDIU-WAYWQWQTSA-N. The full InChI is InChI=1S/C5H11N2Se/c1-3-7(4-2)5(6)8/h6H,3-4H2,1-2H3/b6-5-.
What are the key properties of Selenourea, N,N-diethyl-?
Selenourea, N,N-diethyl- has a molecular weight of 178.12 g/mol, XLogP of 0.43, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for Selenourea, N,N-diethyl- is sourced from PubChem (CID 6328104), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).