N-benzyl-1,3-oxaselenepan-2-imine

C12H15NOSe — CID 101465464

IUPACN-benzyl-1,3-oxaselenepan-2-imine
SMILESc1ccc(C/N=C2/OCCCC[Se]2)cc1
InChIInChI=1S/C12H15NOSe/c1-2-6-11(7-3-1)10-13-12-14-8-4-5-9-15-12/h1-3,6-7H,4-5,8-10H2/b13-12-
InChIKeyCHMOIGLBNJGEAX-SEYXRHQNSA-N
MW268.22 g/mol
LogP2.48
Rot. Bonds2

About N-benzyl-1,3-oxaselenepan-2-imine

N-benzyl-1,3-oxaselenepan-2-imine (PubChem CID 101465464) has the molecular formula C12H15NOSe and a molecular weight of 268.22 g/mol. Its IUPAC name is N-benzyl-1,3-oxaselenepan-2-imine.

Molecular Properties

Compound NameN-benzyl-1,3-oxaselenepan-2-imine
PubChem CID101465464
Molecular FormulaC12H15NOSe
Molecular Weight268.22 g/mol
Exact Mass269.03
IUPAC NameN-benzyl-1,3-oxaselenepan-2-imine
SMILESc1ccc(C/N=C2/OCCCC[Se]2)cc1
InChIInChI=1S/C12H15NOSe/c1-2-6-11(7-3-1)10-13-12-14-8-4-5-9-15-12/h1-3,6-7H,4-5,8-10H2/b13-12-
InChIKeyCHMOIGLBNJGEAX-SEYXRHQNSA-N
XLogP2.48
TPSA21.59 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.22
LogP ≤ 52.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

Benzyl Isoselenocyanate
CID 12506035
Diethyl N-benzylimidocarbonate
CID 80429
N-benzyl-1,1-dimethoxymethanimine
CID 12683291
methyl N-benzylmethanimidate
CID 14292074
N-benzyloxolan-2-imine
CID 14529224
N-(methoxy-2-propylidene)benzylamine
CID 71604915
CID 10466244
CID 10466244
N-benzyl-3-methyloxolan-2-imine
CID 11084634
CID 13439499
CID 13439499
N-benzyloxan-2-imine
CID 14529227
1-(Isoselenocyanatomethyl)-4-methylbenzene
CID 22014983
4-Phenyl-2-oxazolidineselone
CID 85151245

Frequently Asked Questions

What is the IUPAC name of N-benzyl-1,3-oxaselenepan-2-imine?
The IUPAC name of N-benzyl-1,3-oxaselenepan-2-imine (CID 101465464) is N-benzyl-1,3-oxaselenepan-2-imine.
What is the SMILES notation for N-benzyl-1,3-oxaselenepan-2-imine?
The canonical SMILES for N-benzyl-1,3-oxaselenepan-2-imine is c1ccc(C/N=C2/OCCCC[Se]2)cc1.
What is the InChIKey of N-benzyl-1,3-oxaselenepan-2-imine?
The InChIKey is CHMOIGLBNJGEAX-SEYXRHQNSA-N. The full InChI is InChI=1S/C12H15NOSe/c1-2-6-11(7-3-1)10-13-12-14-8-4-5-9-15-12/h1-3,6-7H,4-5,8-10H2/b13-12-.
What are the key properties of N-benzyl-1,3-oxaselenepan-2-imine?
N-benzyl-1,3-oxaselenepan-2-imine has a molecular weight of 268.22 g/mol, XLogP of 2.48, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-1,3-oxaselenepan-2-imine is sourced from PubChem (CID 101465464), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).