N-(benzylideneamino)-N-methylacetamide

C10H12N2O — CID 5250793

IUPACN-(benzylideneamino)-N-methylacetamide
SMILESCC(=O)N(C)N=Cc1ccccc1
InChIInChI=1S/C10H12N2O/c1-9(13)12(2)11-8-10-6-4-3-5-7-10/h3-8H,1-2H3
InChIKeyFCYWULKIZWUKPF-UHFFFAOYSA-N
MW176.22 g/mol
LogP1.50
Rot. Bonds2

About N-(benzylideneamino)-N-methylacetamide

N-(benzylideneamino)-N-methylacetamide (PubChem CID 5250793) has the molecular formula C10H12N2O and a molecular weight of 176.22 g/mol. Its IUPAC name is N-(benzylideneamino)-N-methylacetamide.

Molecular Properties

Compound NameN-(benzylideneamino)-N-methylacetamide
PubChem CID5250793
Molecular FormulaC10H12N2O
Molecular Weight176.22 g/mol
Exact Mass176.09
IUPAC NameN-(benzylideneamino)-N-methylacetamide
SMILESCC(=O)N(C)N=Cc1ccccc1
InChIInChI=1S/C10H12N2O/c1-9(13)12(2)11-8-10-6-4-3-5-7-10/h3-8H,1-2H3
InChIKeyFCYWULKIZWUKPF-UHFFFAOYSA-N
XLogP1.50
TPSA32.67 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500176.22
LogP ≤ 51.50
H-Bond Donors ≤ 50
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-(benzylideneamino)-N-methylacetamide?
The IUPAC name of N-(benzylideneamino)-N-methylacetamide (CID 5250793) is N-(benzylideneamino)-N-methylacetamide.
What is the SMILES notation for N-(benzylideneamino)-N-methylacetamide?
The canonical SMILES for N-(benzylideneamino)-N-methylacetamide is CC(=O)N(C)N=Cc1ccccc1.
What is the InChIKey of N-(benzylideneamino)-N-methylacetamide?
The InChIKey is FCYWULKIZWUKPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N2O/c1-9(13)12(2)11-8-10-6-4-3-5-7-10/h3-8H,1-2H3.
What are the key properties of N-(benzylideneamino)-N-methylacetamide?
N-(benzylideneamino)-N-methylacetamide has a molecular weight of 176.22 g/mol, XLogP of 1.50, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(benzylideneamino)-N-methylacetamide is sourced from PubChem (CID 5250793), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).