1,3-dimethyl-1-selanylurea

C3H8N2OSe — CID 173304462

IUPAC1,3-dimethyl-1-selanylurea
SMILESCNC(=O)N(C)[SeH]
InChIInChI=1S/C3H8N2OSe/c1-4-3(6)5(2)7/h7H,1-2H3,(H,4,6)
InChIKeyIMEISRDATFJSDI-UHFFFAOYSA-N
MW167.07 g/mol
LogP-0.93
Rot. Bonds

About 1,3-dimethyl-1-selanylurea

1,3-dimethyl-1-selanylurea (PubChem CID 173304462) has the molecular formula C3H8N2OSe and a molecular weight of 167.07 g/mol. Its IUPAC name is 1,3-dimethyl-1-selanylurea.

Molecular Properties

Compound Name1,3-dimethyl-1-selanylurea
PubChem CID173304462
Molecular FormulaC3H8N2OSe
Molecular Weight167.07 g/mol
Exact Mass167.98
IUPAC Name1,3-dimethyl-1-selanylurea
SMILESCNC(=O)N(C)[SeH]
InChIInChI=1S/C3H8N2OSe/c1-4-3(6)5(2)7/h7H,1-2H3,(H,4,6)
InChIKeyIMEISRDATFJSDI-UHFFFAOYSA-N
XLogP-0.93
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.07
LogP ≤ 5-0.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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 1,3-dimethyl-1-selanylurea?
The IUPAC name of 1,3-dimethyl-1-selanylurea (CID 173304462) is 1,3-dimethyl-1-selanylurea.
What is the SMILES notation for 1,3-dimethyl-1-selanylurea?
The canonical SMILES for 1,3-dimethyl-1-selanylurea is CNC(=O)N(C)[SeH].
What is the InChIKey of 1,3-dimethyl-1-selanylurea?
The InChIKey is IMEISRDATFJSDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H8N2OSe/c1-4-3(6)5(2)7/h7H,1-2H3,(H,4,6).
What are the key properties of 1,3-dimethyl-1-selanylurea?
1,3-dimethyl-1-selanylurea has a molecular weight of 167.07 g/mol, XLogP of -0.93, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-dimethyl-1-selanylurea is sourced from PubChem (CID 173304462), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).