5-(2-oxochromen-7-yl)pentyl selenocyanate

C15H15NO2Se — CID 102102124

IUPAC5-(2-oxochromen-7-yl)pentyl selenocyanate
SMILESN#C[Se]CCCCCc1ccc2ccc(=O)oc2c1
InChIInChI=1S/C15H15NO2Se/c16-11-19-9-3-1-2-4-12-5-6-13-7-8-15(17)18-14(13)10-12/h5-8,10H,1-4,9H2
InChIKeyOKPBQTGNWZWDIM-UHFFFAOYSA-N
MW320.25 g/mol
LogP3.11
Rot. Bonds6

About 5-(2-oxochromen-7-yl)pentyl selenocyanate

5-(2-oxochromen-7-yl)pentyl selenocyanate (PubChem CID 102102124) has the molecular formula C15H15NO2Se and a molecular weight of 320.25 g/mol. Its IUPAC name is 5-(2-oxochromen-7-yl)pentyl selenocyanate.

Molecular Properties

Compound Name5-(2-oxochromen-7-yl)pentyl selenocyanate
PubChem CID102102124
Molecular FormulaC15H15NO2Se
Molecular Weight320.25 g/mol
Exact Mass321.03
IUPAC Name5-(2-oxochromen-7-yl)pentyl selenocyanate
SMILESN#C[Se]CCCCCc1ccc2ccc(=O)oc2c1
InChIInChI=1S/C15H15NO2Se/c16-11-19-9-3-1-2-4-12-5-6-13-7-8-15(17)18-14(13)10-12/h5-8,10H,1-4,9H2
InChIKeyOKPBQTGNWZWDIM-UHFFFAOYSA-N
XLogP3.11
TPSA54.00 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.25
LogP ≤ 53.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-(2-oxochromen-7-yl)acetonitrile
CID 119085058
7-(2-hydroxyethyl)chromen-2-one
CID 59776471
7-(bromomethyl)chromen-2-one;7-methylchromen-2-one
CID 160730215
4-[(2-oxochromen-7-yl)oxymethyl]benzonitrile
CID 2089139
6-[8-[2,7-dimethyl-9-[8-(2-oxochromen-6-yl)octyl]fluoren-9-yl]octyl]chromen-2-one
CID 59398927
7-[(4-butan-2-ylphenyl)methyl]chromen-2-one
CID 54134481
chromen-2-one;copper
CID 175033656
7-sulfanylchromen-2-one;hydrobromide
CID 173228168
7-hydroxychromen-2-one;phosphoric acid
CID 87360141
7-(6-hydroxyhexoxy)chromen-2-one
CID 11369034
7-[(4-methoxyphenyl)methoxy]chromen-2-one
CID 2906140
7-(8-hydroxyoctoxy)chromen-2-one
CID 11300756

Frequently Asked Questions

What is the IUPAC name of 5-(2-oxochromen-7-yl)pentyl selenocyanate?
The IUPAC name of 5-(2-oxochromen-7-yl)pentyl selenocyanate (CID 102102124) is 5-(2-oxochromen-7-yl)pentyl selenocyanate.
What is the SMILES notation for 5-(2-oxochromen-7-yl)pentyl selenocyanate?
The canonical SMILES for 5-(2-oxochromen-7-yl)pentyl selenocyanate is N#C[Se]CCCCCc1ccc2ccc(=O)oc2c1.
What is the InChIKey of 5-(2-oxochromen-7-yl)pentyl selenocyanate?
The InChIKey is OKPBQTGNWZWDIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15NO2Se/c16-11-19-9-3-1-2-4-12-5-6-13-7-8-15(17)18-14(13)10-12/h5-8,10H,1-4,9H2.
What are the key properties of 5-(2-oxochromen-7-yl)pentyl selenocyanate?
5-(2-oxochromen-7-yl)pentyl selenocyanate has a molecular weight of 320.25 g/mol, XLogP of 3.11, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-oxochromen-7-yl)pentyl selenocyanate is sourced from PubChem (CID 102102124), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).