carbonyl dicyanide;(3-nitrophenyl)hydrazine

C9H7N5O3 — CID 19436738

IUPACcarbonyl dicyanide;(3-nitrophenyl)hydrazine
SMILESN#CC(=O)C#N.NNc1cccc([N+](=O)[O-])c1
InChIInChI=1S/C6H7N3O2.C3N2O/c7-8-5-2-1-3-6(4-5)9(10)11;4-1-3(6)2-5/h1-4,8H,7H2;
InChIKeyBRMMYNVSXWDVHM-UHFFFAOYSA-N
MW233.19 g/mol
LogP0.48
Rot. Bonds2

About carbonyl dicyanide;(3-nitrophenyl)hydrazine

carbonyl dicyanide;(3-nitrophenyl)hydrazine (PubChem CID 19436738) has the molecular formula C9H7N5O3 and a molecular weight of 233.19 g/mol. Its IUPAC name is carbonyl dicyanide;(3-nitrophenyl)hydrazine.

Molecular Properties

Compound Namecarbonyl dicyanide;(3-nitrophenyl)hydrazine
PubChem CID19436738
Molecular FormulaC9H7N5O3
Molecular Weight233.19 g/mol
Exact Mass233.05
IUPAC Namecarbonyl dicyanide;(3-nitrophenyl)hydrazine
SMILESN#CC(=O)C#N.NNc1cccc([N+](=O)[O-])c1
InChIInChI=1S/C6H7N3O2.C3N2O/c7-8-5-2-1-3-6(4-5)9(10)11;4-1-3(6)2-5/h1-4,8H,7H2;
InChIKeyBRMMYNVSXWDVHM-UHFFFAOYSA-N
XLogP0.48
TPSA145.84 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.19
LogP ≤ 50.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyl_cyanide', 'substructure': 'N/A'}, {'alert_name': 'hydrazine', '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

hydrazine;bis((3-nitrophenyl)hydrazine);hydrate
CID 158997537
(1Z)-2-hydrazinyl-N-(3-nitroanilino)-2-oxoethanimidoyl cyanide
CID 6523367
ethane;N-(3-nitrophenyl)acetamide
CID 90876834
[3-nitro-5-(3-nitrophenoxy)phenyl]hydrazine
CID 80912353
2-cyano-N-(3-nitrophenyl)-2-phenylacetamide
CID 62877185
1-cyano-N-(3-nitrophenyl)cyclopentane-1-carboxamide
CID 55021433
CID 58015538
CID 58015538
ethane;methanol;N-methyl-3-nitroaniline
CID 144908950
2-iodo-N-(3-nitrophenyl)acetamide
CID 12611682
3-(3-nitroanilino)propanamide
CID 21238871
1-methoxy-3-(3-nitrophenyl)urea
CID 41474055
1-cyano-3-methyl-N-(3-nitrophenyl)cyclobutane-1-carboxamide
CID 80501271

Frequently Asked Questions

What is the IUPAC name of carbonyl dicyanide;(3-nitrophenyl)hydrazine?
The IUPAC name of carbonyl dicyanide;(3-nitrophenyl)hydrazine (CID 19436738) is carbonyl dicyanide;(3-nitrophenyl)hydrazine.
What is the SMILES notation for carbonyl dicyanide;(3-nitrophenyl)hydrazine?
The canonical SMILES for carbonyl dicyanide;(3-nitrophenyl)hydrazine is N#CC(=O)C#N.NNc1cccc([N+](=O)[O-])c1.
What is the InChIKey of carbonyl dicyanide;(3-nitrophenyl)hydrazine?
The InChIKey is BRMMYNVSXWDVHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H7N3O2.C3N2O/c7-8-5-2-1-3-6(4-5)9(10)11;4-1-3(6)2-5/h1-4,8H,7H2;.
What are the key properties of carbonyl dicyanide;(3-nitrophenyl)hydrazine?
carbonyl dicyanide;(3-nitrophenyl)hydrazine has a molecular weight of 233.19 g/mol, XLogP of 0.48, 2 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for carbonyl dicyanide;(3-nitrophenyl)hydrazine is sourced from PubChem (CID 19436738), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).