4-(4-nitrophenyl)selanylmorpholine

C10H12N2O3Se — CID 23279168

IUPAC4-(4-nitrophenyl)selanylmorpholine
SMILESO=[N+]([O-])c1ccc([Se]N2CCOCC2)cc1
InChIInChI=1S/C10H12N2O3Se/c13-12(14)9-1-3-10(4-2-9)16-11-5-7-15-8-6-11/h1-4H,5-8H2
InChIKeyNZAUNKMMSUDXKX-UHFFFAOYSA-N
MW287.18 g/mol
LogP0.17
Rot. Bonds3

About 4-(4-nitrophenyl)selanylmorpholine

4-(4-nitrophenyl)selanylmorpholine (PubChem CID 23279168) has the molecular formula C10H12N2O3Se and a molecular weight of 287.18 g/mol. Its IUPAC name is 4-(4-nitrophenyl)selanylmorpholine.

Molecular Properties

Compound Name4-(4-nitrophenyl)selanylmorpholine
PubChem CID23279168
Molecular FormulaC10H12N2O3Se
Molecular Weight287.18 g/mol
Exact Mass288.00
IUPAC Name4-(4-nitrophenyl)selanylmorpholine
SMILESO=[N+]([O-])c1ccc([Se]N2CCOCC2)cc1
InChIInChI=1S/C10H12N2O3Se/c13-12(14)9-1-3-10(4-2-9)16-11-5-7-15-8-6-11/h1-4H,5-8H2
InChIKeyNZAUNKMMSUDXKX-UHFFFAOYSA-N
XLogP0.17
TPSA55.61 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.18
LogP ≤ 50.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

ethane;methanol;4-(4-nitrophenyl)morpholine
CID 177318557
2-morpholin-4-yl-2-(4-nitrophenyl)acetonitrile
CID 84747445
4-[(S)-(4-nitrophenyl)sulfinyl]morpholine
CID 11859168
4-[1-(4-nitrophenyl)ethyl]morpholine
CID 13398803
1-morpholin-4-yl-2-(4-nitrophenyl)ethanone
CID 5170165
(4-nitrophenyl) morpholine-4-carboxylate
CID 735624
1-morpholin-4-yl-2-(4-nitrophenyl)ethanethione
CID 46887259
4-[1-(4-nitrophenyl)sulfanylethyl]morpholine
CID 19779513
2-morpholin-4-yl-2-(4-nitrophenyl)ethanamine
CID 82041960
4-(4-nitrophenyl)-1,3,4-oxathiazinane 3,3-dioxide
CID 23086776
2-morpholin-4-yl-5-nitrobenzaldehyde
CID 2794872
1-(bromomethyl)-4-nitrobenzene;4-(morpholin-4-ylmethyl)aniline
CID 160506473

Frequently Asked Questions

What is the IUPAC name of 4-(4-nitrophenyl)selanylmorpholine?
The IUPAC name of 4-(4-nitrophenyl)selanylmorpholine (CID 23279168) is 4-(4-nitrophenyl)selanylmorpholine.
What is the SMILES notation for 4-(4-nitrophenyl)selanylmorpholine?
The canonical SMILES for 4-(4-nitrophenyl)selanylmorpholine is O=[N+]([O-])c1ccc([Se]N2CCOCC2)cc1.
What is the InChIKey of 4-(4-nitrophenyl)selanylmorpholine?
The InChIKey is NZAUNKMMSUDXKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N2O3Se/c13-12(14)9-1-3-10(4-2-9)16-11-5-7-15-8-6-11/h1-4H,5-8H2.
What are the key properties of 4-(4-nitrophenyl)selanylmorpholine?
4-(4-nitrophenyl)selanylmorpholine has a molecular weight of 287.18 g/mol, XLogP of 0.17, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-nitrophenyl)selanylmorpholine is sourced from PubChem (CID 23279168), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).