N-[(E)-benzylideneamino]-2-cyanoacetamide

C10H9N3O — CID 6869220

IUPACN-[(E)-benzylideneamino]-2-cyanoacetamide
SMILESN#CCC(=O)N/N=C/c1ccccc1
InChIInChI=1S/C10H9N3O/c11-7-6-10(14)13-12-8-9-4-2-1-3-5-9/h1-5,8H,6H2,(H,13,14)/b12-8+
InChIKeyINMVSZQSMSATPX-XYOKQWHBSA-N
MW187.20 g/mol
LogP1.05
Rot. Bonds3

About N-[(E)-benzylideneamino]-2-cyanoacetamide

N-[(E)-benzylideneamino]-2-cyanoacetamide (PubChem CID 6869220) has the molecular formula C10H9N3O and a molecular weight of 187.20 g/mol. Its IUPAC name is N-[(E)-benzylideneamino]-2-cyanoacetamide.

Molecular Properties

Compound NameN-[(E)-benzylideneamino]-2-cyanoacetamide
PubChem CID6869220
Molecular FormulaC10H9N3O
Molecular Weight187.20 g/mol
Exact Mass187.07
IUPAC NameN-[(E)-benzylideneamino]-2-cyanoacetamide
SMILESN#CCC(=O)N/N=C/c1ccccc1
InChIInChI=1S/C10H9N3O/c11-7-6-10(14)13-12-8-9-4-2-1-3-5-9/h1-5,8H,6H2,(H,13,14)/b12-8+
InChIKeyINMVSZQSMSATPX-XYOKQWHBSA-N
XLogP1.05
TPSA65.25 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.20
LogP ≤ 51.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', '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-[(E)-benzylideneamino]-2-cyanoacetamide?
The IUPAC name of N-[(E)-benzylideneamino]-2-cyanoacetamide (CID 6869220) is N-[(E)-benzylideneamino]-2-cyanoacetamide.
What is the SMILES notation for N-[(E)-benzylideneamino]-2-cyanoacetamide?
The canonical SMILES for N-[(E)-benzylideneamino]-2-cyanoacetamide is N#CCC(=O)N/N=C/c1ccccc1.
What is the InChIKey of N-[(E)-benzylideneamino]-2-cyanoacetamide?
The InChIKey is INMVSZQSMSATPX-XYOKQWHBSA-N. The full InChI is InChI=1S/C10H9N3O/c11-7-6-10(14)13-12-8-9-4-2-1-3-5-9/h1-5,8H,6H2,(H,13,14)/b12-8+.
What are the key properties of N-[(E)-benzylideneamino]-2-cyanoacetamide?
N-[(E)-benzylideneamino]-2-cyanoacetamide has a molecular weight of 187.20 g/mol, XLogP of 1.05, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-benzylideneamino]-2-cyanoacetamide is sourced from PubChem (CID 6869220), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).