N-[(E)-benzylideneamino]acetamide

C9H10N2O — CID 6871296

IUPACN-[(E)-benzylideneamino]acetamide
SMILESCC(=O)N/N=C/c1ccccc1
InChIInChI=1S/C9H10N2O/c1-8(12)11-10-7-9-5-3-2-4-6-9/h2-7H,1H3,(H,11,12)/b10-7+
InChIKeyGPTBUIMZDZKKLE-JXMROGBWSA-N
MW162.19 g/mol
LogP1.16
Rot. Bonds2

About N-[(E)-benzylideneamino]acetamide

N-[(E)-benzylideneamino]acetamide (PubChem CID 6871296) has the molecular formula C9H10N2O and a molecular weight of 162.19 g/mol. Its IUPAC name is N-[(E)-benzylideneamino]acetamide.

Molecular Properties

Compound NameN-[(E)-benzylideneamino]acetamide
PubChem CID6871296
Molecular FormulaC9H10N2O
Molecular Weight162.19 g/mol
Exact Mass162.08
IUPAC NameN-[(E)-benzylideneamino]acetamide
SMILESCC(=O)N/N=C/c1ccccc1
InChIInChI=1S/C9H10N2O/c1-8(12)11-10-7-9-5-3-2-4-6-9/h2-7H,1H3,(H,11,12)/b10-7+
InChIKeyGPTBUIMZDZKKLE-JXMROGBWSA-N
XLogP1.16
TPSA41.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500162.19
LogP ≤ 51.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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]acetamide?
The IUPAC name of N-[(E)-benzylideneamino]acetamide (CID 6871296) is N-[(E)-benzylideneamino]acetamide.
What is the SMILES notation for N-[(E)-benzylideneamino]acetamide?
The canonical SMILES for N-[(E)-benzylideneamino]acetamide is CC(=O)N/N=C/c1ccccc1.
What is the InChIKey of N-[(E)-benzylideneamino]acetamide?
The InChIKey is GPTBUIMZDZKKLE-JXMROGBWSA-N. The full InChI is InChI=1S/C9H10N2O/c1-8(12)11-10-7-9-5-3-2-4-6-9/h2-7H,1H3,(H,11,12)/b10-7+.
What are the key properties of N-[(E)-benzylideneamino]acetamide?
N-[(E)-benzylideneamino]acetamide has a molecular weight of 162.19 g/mol, XLogP of 1.16, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-benzylideneamino]acetamide is sourced from PubChem (CID 6871296), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).