N-(2,3-dicyanophenyl)nitramide

C8H4N4O2 — CID 67391163

IUPACN-(2,3-dicyanophenyl)nitramide
SMILESN#Cc1cccc(N[N+](=O)[O-])c1C#N
InChIInChI=1S/C8H4N4O2/c9-4-6-2-1-3-8(7(6)5-10)11-12(13)14/h1-3,11H
InChIKeyVYMZWLRDLMRBNF-UHFFFAOYSA-N
MW188.15 g/mol
LogP1.03
Rot. Bonds2

About N-(2,3-dicyanophenyl)nitramide

N-(2,3-dicyanophenyl)nitramide (PubChem CID 67391163) has the molecular formula C8H4N4O2 and a molecular weight of 188.15 g/mol. Its IUPAC name is N-(2,3-dicyanophenyl)nitramide.

Molecular Properties

Compound NameN-(2,3-dicyanophenyl)nitramide
PubChem CID67391163
Molecular FormulaC8H4N4O2
Molecular Weight188.15 g/mol
Exact Mass188.03
IUPAC NameN-(2,3-dicyanophenyl)nitramide
SMILESN#Cc1cccc(N[N+](=O)[O-])c1C#N
InChIInChI=1S/C8H4N4O2/c9-4-6-2-1-3-8(7(6)5-10)11-12(13)14/h1-3,11H
InChIKeyVYMZWLRDLMRBNF-UHFFFAOYSA-N
XLogP1.03
TPSA102.75 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.15
LogP ≤ 51.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'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 N-(2,3-dicyanophenyl)nitramide?
The IUPAC name of N-(2,3-dicyanophenyl)nitramide (CID 67391163) is N-(2,3-dicyanophenyl)nitramide.
What is the SMILES notation for N-(2,3-dicyanophenyl)nitramide?
The canonical SMILES for N-(2,3-dicyanophenyl)nitramide is N#Cc1cccc(N[N+](=O)[O-])c1C#N.
What is the InChIKey of N-(2,3-dicyanophenyl)nitramide?
The InChIKey is VYMZWLRDLMRBNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H4N4O2/c9-4-6-2-1-3-8(7(6)5-10)11-12(13)14/h1-3,11H.
What are the key properties of N-(2,3-dicyanophenyl)nitramide?
N-(2,3-dicyanophenyl)nitramide has a molecular weight of 188.15 g/mol, XLogP of 1.03, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,3-dicyanophenyl)nitramide is sourced from PubChem (CID 67391163), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).