(2R)-2-cyano-2-phenyldiazenylacetamide

C9H8N4O — CID 98111479

IUPAC(2R)-2-cyano-2-phenyldiazenylacetamide
SMILESN#C[C@@H](/N=N/c1ccccc1)C(N)=O
InChIInChI=1S/C9H8N4O/c10-6-8(9(11)14)13-12-7-4-2-1-3-5-7/h1-5,8H,(H2,11,14)/b13-12+/t8-/m1/s1
InChIKeyITCMBSPLLVBGBV-POSNJMFHSA-N
MW188.19 g/mol
LogP1.15
Rot. Bonds3

About (2R)-2-cyano-2-phenyldiazenylacetamide

(2R)-2-cyano-2-phenyldiazenylacetamide (PubChem CID 98111479) has the molecular formula C9H8N4O and a molecular weight of 188.19 g/mol. Its IUPAC name is (2R)-2-cyano-2-phenyldiazenylacetamide.

Molecular Properties

Compound Name(2R)-2-cyano-2-phenyldiazenylacetamide
PubChem CID98111479
Molecular FormulaC9H8N4O
Molecular Weight188.19 g/mol
Exact Mass188.07
IUPAC Name(2R)-2-cyano-2-phenyldiazenylacetamide
SMILESN#C[C@@H](/N=N/c1ccccc1)C(N)=O
InChIInChI=1S/C9H8N4O/c10-6-8(9(11)14)13-12-7-4-2-1-3-5-7/h1-5,8H,(H2,11,14)/b13-12+/t8-/m1/s1
InChIKeyITCMBSPLLVBGBV-POSNJMFHSA-N
XLogP1.15
TPSA91.60 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.19
LogP ≤ 51.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}

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Related Compounds

diphenyldiazene;urea
CID 175083568
3-(1-methylindol-3-yl)-3-oxo-2-phenyldiazenylpropanenitrile
CID 123603569
amino 2-[(4-chlorophenyl)diazenyl]-2-cyanoacetate
CID 91373733
diphenyldiazene;oxalonitrile
CID 174439181
2-[phenyl(phenyldiazenyl)methyl]propanedinitrile
CID 19435
[2-cyano-2-[(3-nitrophenyl)diazenyl]acetyl]carbamic acid
CID 91466132
ethyl 2-cyano-2-[(4-sulfamoylphenyl)diazenyl]acetate
CID 170922609
2-[(4-chlorophenyl)diazenyl]-2-(2-cyanophenyl)acetamide
CID 71575511
4,4-dimethyl-2-phenyldiazenylpentanenitrile
CID 67922022
hydrogen peroxide;2-methyl-3-phenyldiazenylpropanenitrile
CID 88713139
2-cyano-2-(4-phenylphenyl)acetamide
CID 22361186
4-methyl-2-phenyldiazenylpentanoic acid
CID 54441041

Frequently Asked Questions

What is the IUPAC name of (2R)-2-cyano-2-phenyldiazenylacetamide?
The IUPAC name of (2R)-2-cyano-2-phenyldiazenylacetamide (CID 98111479) is (2R)-2-cyano-2-phenyldiazenylacetamide.
What is the SMILES notation for (2R)-2-cyano-2-phenyldiazenylacetamide?
The canonical SMILES for (2R)-2-cyano-2-phenyldiazenylacetamide is N#C[C@@H](/N=N/c1ccccc1)C(N)=O.
What is the InChIKey of (2R)-2-cyano-2-phenyldiazenylacetamide?
The InChIKey is ITCMBSPLLVBGBV-POSNJMFHSA-N. The full InChI is InChI=1S/C9H8N4O/c10-6-8(9(11)14)13-12-7-4-2-1-3-5-7/h1-5,8H,(H2,11,14)/b13-12+/t8-/m1/s1.
What are the key properties of (2R)-2-cyano-2-phenyldiazenylacetamide?
(2R)-2-cyano-2-phenyldiazenylacetamide has a molecular weight of 188.19 g/mol, XLogP of 1.15, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-cyano-2-phenyldiazenylacetamide is sourced from PubChem (CID 98111479), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).