5-benzamidopentyl selenocyanate

C13H16N2OSe — CID 141484233

IUPAC5-benzamidopentyl selenocyanate
SMILESN#C[Se]CCCCCNC(=O)c1ccccc1
InChIInChI=1S/C13H16N2OSe/c14-11-17-10-6-2-5-9-15-13(16)12-7-3-1-4-8-12/h1,3-4,7-8H,2,5-6,9-10H2,(H,15,16)
InChIKeyTYDQKSOQOXFEDB-UHFFFAOYSA-N
MW295.24 g/mol
LogP2.19
Rot. Bonds7

About 5-benzamidopentyl selenocyanate

5-benzamidopentyl selenocyanate (PubChem CID 141484233) has the molecular formula C13H16N2OSe and a molecular weight of 295.24 g/mol. Its IUPAC name is 5-benzamidopentyl selenocyanate.

Molecular Properties

Compound Name5-benzamidopentyl selenocyanate
PubChem CID141484233
Molecular FormulaC13H16N2OSe
Molecular Weight295.24 g/mol
Exact Mass296.04
IUPAC Name5-benzamidopentyl selenocyanate
SMILESN#C[Se]CCCCCNC(=O)c1ccccc1
InChIInChI=1S/C13H16N2OSe/c14-11-17-10-6-2-5-9-15-13(16)12-7-3-1-4-8-12/h1,3-4,7-8H,2,5-6,9-10H2,(H,15,16)
InChIKeyTYDQKSOQOXFEDB-UHFFFAOYSA-N
XLogP2.19
TPSA52.89 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.24
LogP ≤ 52.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-(3-cyanopropyl)benzamide
CID 62666234
N-(6-hydrazinyl-6-oxohexyl)benzamide
CID 5226635
N-[5-[(2-sulfanylacetyl)amino]pentyl]benzamide
CID 11482903
1-N,4-N-bis(5-cyanopentyl)benzene-1,4-dicarboxamide
CID 11783188
4-cyano-N-[6-[(4-cyanobenzoyl)amino]hexyl]benzamide
CID 137466862
N-(4-hydrazinyl-4-oxobutyl)benzamide
CID 4736868
2-cyano-N-[6-[(2-cyanobenzoyl)amino]hexyl]benzamide
CID 19777006
N-[5-(diaminomethylideneamino)pentyl]benzamide
CID 21298945
N-[6-(5-hydroxypentylamino)-6-oxohexyl]benzamide
CID 110839273
N-(4-oxopentyl)benzamide
CID 10798281
3-benzamidopropylphosphonic acid
CID 59131688
N-[2-[[2-[4-[[2-[(2-benzamidoacetyl)amino]acetyl]amino]butylamino]-2-oxoethyl]amino]-2-oxoethyl]benzamide
CID 101335616

Frequently Asked Questions

What is the IUPAC name of 5-benzamidopentyl selenocyanate?
The IUPAC name of 5-benzamidopentyl selenocyanate (CID 141484233) is 5-benzamidopentyl selenocyanate.
What is the SMILES notation for 5-benzamidopentyl selenocyanate?
The canonical SMILES for 5-benzamidopentyl selenocyanate is N#C[Se]CCCCCNC(=O)c1ccccc1.
What is the InChIKey of 5-benzamidopentyl selenocyanate?
The InChIKey is TYDQKSOQOXFEDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2OSe/c14-11-17-10-6-2-5-9-15-13(16)12-7-3-1-4-8-12/h1,3-4,7-8H,2,5-6,9-10H2,(H,15,16).
What are the key properties of 5-benzamidopentyl selenocyanate?
5-benzamidopentyl selenocyanate has a molecular weight of 295.24 g/mol, XLogP of 2.19, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-benzamidopentyl selenocyanate is sourced from PubChem (CID 141484233), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).