N-(4-methylanilino)-2-oxopropanimidoyl cyanide

C11H11N3O — CID 563292

IUPACN-(4-methylanilino)-2-oxopropanimidoyl cyanide
SMILESCC(=O)C(C#N)=NNc1ccc(C)cc1
InChIInChI=1S/C11H11N3O/c1-8-3-5-10(6-4-8)13-14-11(7-12)9(2)15/h3-6,13H,1-2H3
InChIKeyFMOALEJTQBYRNY-UHFFFAOYSA-N
MW201.23 g/mol
LogP1.88
Rot. Bonds3

About N-(4-methylanilino)-2-oxopropanimidoyl cyanide

N-(4-methylanilino)-2-oxopropanimidoyl cyanide (PubChem CID 563292) has the molecular formula C11H11N3O and a molecular weight of 201.23 g/mol. Its IUPAC name is N-(4-methylanilino)-2-oxopropanimidoyl cyanide.

Molecular Properties

Compound NameN-(4-methylanilino)-2-oxopropanimidoyl cyanide
PubChem CID563292
Molecular FormulaC11H11N3O
Molecular Weight201.23 g/mol
Exact Mass201.09
IUPAC NameN-(4-methylanilino)-2-oxopropanimidoyl cyanide
SMILESCC(=O)C(C#N)=NNc1ccc(C)cc1
InChIInChI=1S/C11H11N3O/c1-8-3-5-10(6-4-8)13-14-11(7-12)9(2)15/h3-6,13H,1-2H3
InChIKeyFMOALEJTQBYRNY-UHFFFAOYSA-N
XLogP1.88
TPSA65.25 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.23
LogP ≤ 51.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_one_A(321)', 'substructure': 'N/A'}, {'alert_name': 'cyano_imine_A(37)', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-anilino-2-oxopropanimidoyl cyanide
CID 830615
methyl (2Z)-2-cyano-2-[(4-methylphenyl)hydrazinylidene]acetate
CID 5361255
(1E)-2-amino-N-(4-methylanilino)-2-sulfanylideneethanimidoyl cyanide
CID 5368595
(1Z)-2-(4-methoxyphenyl)-N-(4-methylanilino)-2-oxoethanimidoyl cyanide
CID 6293273
phenacyl (2E)-2-cyano-2-[(4-methylphenyl)hydrazinylidene]acetate
CID 134918387
ethyl (2Z)-2-[(4-acetylphenyl)hydrazinylidene]-2-cyanoacetate
CID 5453337
ethyl (2E)-2-[(4-acetylphenyl)hydrazinylidene]-2-cyanoacetate
CID 7633287
(3Z,4Z)-3-hydroxyimino-4-[(4-methylphenyl)hydrazinylidene]pentan-2-one
CID 137278520
N-(4-fluoroanilino)-3-methyl-2-oxobutanimidoyl cyanide
CID 538555
2-amino-N-(4-chloroanilino)-2-oxoethanimidoyl cyanide
CID 2814561
ethyl (2Z)-2-cyano-2-[(4-methoxyphenyl)hydrazinylidene]acetate
CID 5417584
ethyl (2E)-2-cyano-2-[(4-ethoxyphenyl)hydrazinylidene]acetate
CID 5406081

Frequently Asked Questions

What is the IUPAC name of N-(4-methylanilino)-2-oxopropanimidoyl cyanide?
The IUPAC name of N-(4-methylanilino)-2-oxopropanimidoyl cyanide (CID 563292) is N-(4-methylanilino)-2-oxopropanimidoyl cyanide.
What is the SMILES notation for N-(4-methylanilino)-2-oxopropanimidoyl cyanide?
The canonical SMILES for N-(4-methylanilino)-2-oxopropanimidoyl cyanide is CC(=O)C(C#N)=NNc1ccc(C)cc1.
What is the InChIKey of N-(4-methylanilino)-2-oxopropanimidoyl cyanide?
The InChIKey is FMOALEJTQBYRNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11N3O/c1-8-3-5-10(6-4-8)13-14-11(7-12)9(2)15/h3-6,13H,1-2H3.
What are the key properties of N-(4-methylanilino)-2-oxopropanimidoyl cyanide?
N-(4-methylanilino)-2-oxopropanimidoyl cyanide has a molecular weight of 201.23 g/mol, XLogP of 1.88, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methylanilino)-2-oxopropanimidoyl cyanide is sourced from PubChem (CID 563292), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).