phenylmethoxymethyl carbamimidoselenoate

C9H12N2OSe — CID 58884129

IUPACphenylmethoxymethyl carbamimidoselenoate
SMILES[H]/N=C(\N)[Se]COCc1ccccc1
InChIInChI=1S/C9H12N2OSe/c10-9(11)13-7-12-6-8-4-2-1-3-5-8/h1-5H,6-7H2,(H3,10,11)
InChIKeyFOYSPVMZIHBJGH-UHFFFAOYSA-N
MW243.17 g/mol
LogP0.76
Rot. Bonds5

About phenylmethoxymethyl carbamimidoselenoate

phenylmethoxymethyl carbamimidoselenoate (PubChem CID 58884129) has the molecular formula C9H12N2OSe and a molecular weight of 243.17 g/mol. Its IUPAC name is phenylmethoxymethyl carbamimidoselenoate.

Molecular Properties

Compound Namephenylmethoxymethyl carbamimidoselenoate
PubChem CID58884129
Molecular FormulaC9H12N2OSe
Molecular Weight243.17 g/mol
Exact Mass244.01
IUPAC Namephenylmethoxymethyl carbamimidoselenoate
SMILES[H]/N=C(\N)[Se]COCc1ccccc1
InChIInChI=1S/C9H12N2OSe/c10-9(11)13-7-12-6-8-4-2-1-3-5-8/h1-5H,6-7H2,(H3,10,11)
InChIKeyFOYSPVMZIHBJGH-UHFFFAOYSA-N
XLogP0.76
TPSA59.10 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.17
LogP ≤ 50.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'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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Related Compounds

CID 66734377
CID 66734377
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4-(phenylmethoxymethyl)aniline
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2-fluoro-3-phenylpropanimidamide
CID 18356520

Frequently Asked Questions

What is the IUPAC name of phenylmethoxymethyl carbamimidoselenoate?
The IUPAC name of phenylmethoxymethyl carbamimidoselenoate (CID 58884129) is phenylmethoxymethyl carbamimidoselenoate.
What is the SMILES notation for phenylmethoxymethyl carbamimidoselenoate?
The canonical SMILES for phenylmethoxymethyl carbamimidoselenoate is [H]/N=C(\N)[Se]COCc1ccccc1.
What is the InChIKey of phenylmethoxymethyl carbamimidoselenoate?
The InChIKey is FOYSPVMZIHBJGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N2OSe/c10-9(11)13-7-12-6-8-4-2-1-3-5-8/h1-5H,6-7H2,(H3,10,11).
What are the key properties of phenylmethoxymethyl carbamimidoselenoate?
phenylmethoxymethyl carbamimidoselenoate has a molecular weight of 243.17 g/mol, XLogP of 0.76, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for phenylmethoxymethyl carbamimidoselenoate is sourced from PubChem (CID 58884129), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).