Se-(4-nitrophenyl) carbamoselenoate

C7H6N2O3Se — CID 122395813

IUPACSe-(4-nitrophenyl) carbamoselenoate
SMILESNC(=O)[Se]c1ccc([N+](=O)[O-])cc1
InChIInChI=1S/C7H6N2O3Se/c8-7(10)13-6-3-1-5(2-4-6)9(11)12/h1-4H,(H2,8,10)
InChIKeyPWJXQQZFOQVOKR-UHFFFAOYSA-N
MW245.10 g/mol
LogP0.00
Rot. Bonds3

About Se-(4-nitrophenyl) carbamoselenoate

Se-(4-nitrophenyl) carbamoselenoate (PubChem CID 122395813) has the molecular formula C7H6N2O3Se and a molecular weight of 245.10 g/mol. Its IUPAC name is Se-(4-nitrophenyl) carbamoselenoate.

Molecular Properties

Compound NameSe-(4-nitrophenyl) carbamoselenoate
PubChem CID122395813
Molecular FormulaC7H6N2O3Se
Molecular Weight245.10 g/mol
Exact Mass245.95
IUPAC NameSe-(4-nitrophenyl) carbamoselenoate
SMILESNC(=O)[Se]c1ccc([N+](=O)[O-])cc1
InChIInChI=1S/C7H6N2O3Se/c8-7(10)13-6-3-1-5(2-4-6)9(11)12/h1-4H,(H2,8,10)
InChIKeyPWJXQQZFOQVOKR-UHFFFAOYSA-N
XLogP0.00
TPSA86.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.10
LogP ≤ 50.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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

carbamic acid;nitrobenzene
CID 66874578
nitrobenzene;urea
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4-nitrophenol
CID 88714583
[[amino-(4-nitrophenyl)methylidene]amino] hydrogen carbonate
CID 91326336
1-(4-chlorophenyl)-1-(4-nitrophenyl)urea
CID 141454389
bis(4-nitrophenyl)carbamic acid
CID 20515803
CID 59711141
CID 59711141
1-(2-aminoethyl)-1-(4-nitrophenyl)urea
CID 53435798
(2Z)-2-(dimethylhydrazinylidene)-1-(4-nitrophenyl)ethanone
CID 6433899
4-(4-nitroanilino)benzamide
CID 11265357
4-[2-(4-nitrophenyl)ethynyl]benzamide
CID 175807940

Frequently Asked Questions

What is the IUPAC name of Se-(4-nitrophenyl) carbamoselenoate?
The IUPAC name of Se-(4-nitrophenyl) carbamoselenoate (CID 122395813) is Se-(4-nitrophenyl) carbamoselenoate.
What is the SMILES notation for Se-(4-nitrophenyl) carbamoselenoate?
The canonical SMILES for Se-(4-nitrophenyl) carbamoselenoate is NC(=O)[Se]c1ccc([N+](=O)[O-])cc1.
What is the InChIKey of Se-(4-nitrophenyl) carbamoselenoate?
The InChIKey is PWJXQQZFOQVOKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H6N2O3Se/c8-7(10)13-6-3-1-5(2-4-6)9(11)12/h1-4H,(H2,8,10).
What are the key properties of Se-(4-nitrophenyl) carbamoselenoate?
Se-(4-nitrophenyl) carbamoselenoate has a molecular weight of 245.10 g/mol, XLogP of 0.00, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for Se-(4-nitrophenyl) carbamoselenoate is sourced from PubChem (CID 122395813), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).