N-(1-aminoethylidene)-4-cyanobenzamide

C10H9N3O — CID 130019001

IUPACN-(1-aminoethylidene)-4-cyanobenzamide
SMILESC/C(N)=N\C(=O)c1ccc(C#N)cc1
InChIInChI=1S/C10H9N3O/c1-7(12)13-10(14)9-4-2-8(6-11)3-5-9/h2-5H,1H3,(H2,12,13,14)
InChIKeyLZBFURUYPWXCEN-UHFFFAOYSA-N
MW187.20 g/mol
LogP1.08
Rot. Bonds1

About N-(1-aminoethylidene)-4-cyanobenzamide

N-(1-aminoethylidene)-4-cyanobenzamide (PubChem CID 130019001) has the molecular formula C10H9N3O and a molecular weight of 187.20 g/mol. Its IUPAC name is N-(1-aminoethylidene)-4-cyanobenzamide.

Molecular Properties

Compound NameN-(1-aminoethylidene)-4-cyanobenzamide
PubChem CID130019001
Molecular FormulaC10H9N3O
Molecular Weight187.20 g/mol
Exact Mass187.07
IUPAC NameN-(1-aminoethylidene)-4-cyanobenzamide
SMILESC/C(N)=N\C(=O)c1ccc(C#N)cc1
InChIInChI=1S/C10H9N3O/c1-7(12)13-10(14)9-4-2-8(6-11)3-5-9/h2-5H,1H3,(H2,12,13,14)
InChIKeyLZBFURUYPWXCEN-UHFFFAOYSA-N
XLogP1.08
TPSA79.24 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.20
LogP ≤ 51.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

N-[amino(phenyl)methylidene]-4-cyanobenzamide
CID 100992622
4-cyanobenzoyl isothiocyanate
CID 22908117
carbamoyl 4-cyanobenzoate
CID 174813888
4-cyanobenzoyl bromide
CID 22321969
(4-carbamoylphenyl) 4-cyanobenzoate
CID 8803287
2-[1-(4-cyanophenyl)ethylideneamino]acetic acid
CID 123488145
ethyl 4-(4-cyanobenzoyl)benzoate
CID 11471481
ethyl 4-(azanylidyne(113C)methyl)benzoate
CID 10442221
[(Z)-1-(4-cyanophenyl)ethylideneamino]thiourea
CID 23024449
2-(4-cyanophenyl)ethene-1,1,2-tricarbonitrile
CID 121012832
4-(2-hydroxy-2-methylpropanoyl)benzonitrile
CID 13026809
4-(4-cyanophenyl)benzoic acid;ethane
CID 143220259

Frequently Asked Questions

What is the IUPAC name of N-(1-aminoethylidene)-4-cyanobenzamide?
The IUPAC name of N-(1-aminoethylidene)-4-cyanobenzamide (CID 130019001) is N-(1-aminoethylidene)-4-cyanobenzamide.
What is the SMILES notation for N-(1-aminoethylidene)-4-cyanobenzamide?
The canonical SMILES for N-(1-aminoethylidene)-4-cyanobenzamide is C/C(N)=N\C(=O)c1ccc(C#N)cc1.
What is the InChIKey of N-(1-aminoethylidene)-4-cyanobenzamide?
The InChIKey is LZBFURUYPWXCEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9N3O/c1-7(12)13-10(14)9-4-2-8(6-11)3-5-9/h2-5H,1H3,(H2,12,13,14).
What are the key properties of N-(1-aminoethylidene)-4-cyanobenzamide?
N-(1-aminoethylidene)-4-cyanobenzamide has a molecular weight of 187.20 g/mol, XLogP of 1.08, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-aminoethylidene)-4-cyanobenzamide is sourced from PubChem (CID 130019001), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).