4-N-nitrosobenzene-1,4-dicarboxamide

C8H7N3O3 — CID 154084422

IUPAC4-N-nitrosobenzene-1,4-dicarboxamide
SMILESNC(=O)c1ccc(C(=O)NN=O)cc1
InChIInChI=1S/C8H7N3O3/c9-7(12)5-1-3-6(4-2-5)8(13)10-11-14/h1-4H,(H2,9,12)(H,10,13,14)
InChIKeyLZTGLHIFEDXJQC-UHFFFAOYSA-N
MW193.16 g/mol
LogP0.20
Rot. Bonds3

About 4-N-nitrosobenzene-1,4-dicarboxamide

4-N-nitrosobenzene-1,4-dicarboxamide (PubChem CID 154084422) has the molecular formula C8H7N3O3 and a molecular weight of 193.16 g/mol. Its IUPAC name is 4-N-nitrosobenzene-1,4-dicarboxamide.

Molecular Properties

Compound Name4-N-nitrosobenzene-1,4-dicarboxamide
PubChem CID154084422
Molecular FormulaC8H7N3O3
Molecular Weight193.16 g/mol
Exact Mass193.05
IUPAC Name4-N-nitrosobenzene-1,4-dicarboxamide
SMILESNC(=O)c1ccc(C(=O)NN=O)cc1
InChIInChI=1S/C8H7N3O3/c9-7(12)5-1-3-6(4-2-5)8(13)10-11-14/h1-4H,(H2,9,12)(H,10,13,14)
InChIKeyLZTGLHIFEDXJQC-UHFFFAOYSA-N
XLogP0.20
TPSA101.62 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.16
LogP ≤ 50.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-N-nitrosobenzene-1,4-dicarboxamide?
The IUPAC name of 4-N-nitrosobenzene-1,4-dicarboxamide (CID 154084422) is 4-N-nitrosobenzene-1,4-dicarboxamide.
What is the SMILES notation for 4-N-nitrosobenzene-1,4-dicarboxamide?
The canonical SMILES for 4-N-nitrosobenzene-1,4-dicarboxamide is NC(=O)c1ccc(C(=O)NN=O)cc1.
What is the InChIKey of 4-N-nitrosobenzene-1,4-dicarboxamide?
The InChIKey is LZTGLHIFEDXJQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7N3O3/c9-7(12)5-1-3-6(4-2-5)8(13)10-11-14/h1-4H,(H2,9,12)(H,10,13,14).
What are the key properties of 4-N-nitrosobenzene-1,4-dicarboxamide?
4-N-nitrosobenzene-1,4-dicarboxamide has a molecular weight of 193.16 g/mol, XLogP of 0.20, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-nitrosobenzene-1,4-dicarboxamide is sourced from PubChem (CID 154084422), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).