4-(4-nitro-2,1,3-benzoselenadiazol-5-yl)morpholine

C10H10N4O3Se — CID 5240655

IUPAC4-(4-nitro-2,1,3-benzoselenadiazol-5-yl)morpholine
SMILESO=[N+]([O-])c1c(N2CCOCC2)ccc2n[se]nc12
InChIInChI=1S/C10H10N4O3Se/c15-14(16)10-8(13-3-5-17-6-4-13)2-1-7-9(10)12-18-11-7/h1-2H,3-6H2
InChIKeyBCMLYKXCMYFAKS-UHFFFAOYSA-N
MW313.18 g/mol
LogP0.43
Rot. Bonds2

About 4-(4-nitro-2,1,3-benzoselenadiazol-5-yl)morpholine

4-(4-nitro-2,1,3-benzoselenadiazol-5-yl)morpholine (PubChem CID 5240655) has the molecular formula C10H10N4O3Se and a molecular weight of 313.18 g/mol. Its IUPAC name is 4-(4-nitro-2,1,3-benzoselenadiazol-5-yl)morpholine.

Molecular Properties

Compound Name4-(4-nitro-2,1,3-benzoselenadiazol-5-yl)morpholine
PubChem CID5240655
Molecular FormulaC10H10N4O3Se
Molecular Weight313.18 g/mol
Exact Mass313.99
IUPAC Name4-(4-nitro-2,1,3-benzoselenadiazol-5-yl)morpholine
SMILESO=[N+]([O-])c1c(N2CCOCC2)ccc2n[se]nc12
InChIInChI=1S/C10H10N4O3Se/c15-14(16)10-8(13-3-5-17-6-4-13)2-1-7-9(10)12-18-11-7/h1-2H,3-6H2
InChIKeyBCMLYKXCMYFAKS-UHFFFAOYSA-N
XLogP0.43
TPSA81.39 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.18
LogP ≤ 50.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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

2-morpholin-4-yl-5-nitrobenzaldehyde
CID 2794872
4-(3-fluoro-2-nitrophenyl)morpholine
CID 53255500
4-(6-nitro-3-bicyclo[3.1.1]hepta-1,3,5-trienyl)morpholine
CID 173213959
N-methyl-2-morpholin-4-yl-5-nitroaniline
CID 174765763
2-(6-amino-3-morpholin-4-yl-2-nitrophenyl)ethanol
CID 163755616
4-(2,3-difluoro-4-nitrophenyl)morpholine
CID 58072318
4-(3-morpholin-4-yl-4-nitrophenyl)morpholine
CID 2829644
bis(2-morpholin-4-yl-4-nitrophenyl)methanone
CID 15355385
N-(5-methyl-1,2-oxazol-3-yl)-2-morpholin-4-yl-5-nitrobenzamide
CID 5298951
3-fluoro-4-morpholin-4-ylaniline;4-(2-fluoro-4-nitrophenyl)morpholine
CID 69365394
4-(5-bromo-2-nitrophenyl)morpholine
CID 71651965
(2-morpholin-4-yl-5-nitrophenyl) hydrogen sulfite
CID 57221693

Frequently Asked Questions

What is the IUPAC name of 4-(4-nitro-2,1,3-benzoselenadiazol-5-yl)morpholine?
The IUPAC name of 4-(4-nitro-2,1,3-benzoselenadiazol-5-yl)morpholine (CID 5240655) is 4-(4-nitro-2,1,3-benzoselenadiazol-5-yl)morpholine.
What is the SMILES notation for 4-(4-nitro-2,1,3-benzoselenadiazol-5-yl)morpholine?
The canonical SMILES for 4-(4-nitro-2,1,3-benzoselenadiazol-5-yl)morpholine is O=[N+]([O-])c1c(N2CCOCC2)ccc2n[se]nc12.
What is the InChIKey of 4-(4-nitro-2,1,3-benzoselenadiazol-5-yl)morpholine?
The InChIKey is BCMLYKXCMYFAKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10N4O3Se/c15-14(16)10-8(13-3-5-17-6-4-13)2-1-7-9(10)12-18-11-7/h1-2H,3-6H2.
What are the key properties of 4-(4-nitro-2,1,3-benzoselenadiazol-5-yl)morpholine?
4-(4-nitro-2,1,3-benzoselenadiazol-5-yl)morpholine has a molecular weight of 313.18 g/mol, XLogP of 0.43, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-nitro-2,1,3-benzoselenadiazol-5-yl)morpholine is sourced from PubChem (CID 5240655), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).