N-(benzyliminomethylidene)acetamide

C10H10N2O — CID 159247893

IUPACN-(benzyliminomethylidene)acetamide
SMILESCC(=O)N=C=NCc1ccccc1
InChIInChI=1S/C10H10N2O/c1-9(13)12-8-11-7-10-5-3-2-4-6-10/h2-6H,7H2,1H3
InChIKeyWNRIIBWDEYCZJX-UHFFFAOYSA-N
MW174.20 g/mol
LogP1.91
Rot. Bonds2

About N-(benzyliminomethylidene)acetamide

N-(benzyliminomethylidene)acetamide (PubChem CID 159247893) has the molecular formula C10H10N2O and a molecular weight of 174.20 g/mol. Its IUPAC name is N-(benzyliminomethylidene)acetamide.

Molecular Properties

Compound NameN-(benzyliminomethylidene)acetamide
PubChem CID159247893
Molecular FormulaC10H10N2O
Molecular Weight174.20 g/mol
Exact Mass174.08
IUPAC NameN-(benzyliminomethylidene)acetamide
SMILESCC(=O)N=C=NCc1ccccc1
InChIInChI=1S/C10H10N2O/c1-9(13)12-8-11-7-10-5-3-2-4-6-10/h2-6H,7H2,1H3
InChIKeyWNRIIBWDEYCZJX-UHFFFAOYSA-N
XLogP1.91
TPSA41.79 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.20
LogP ≤ 51.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(benzyliminomethylidene)acetamide?
The IUPAC name of N-(benzyliminomethylidene)acetamide (CID 159247893) is N-(benzyliminomethylidene)acetamide.
What is the SMILES notation for N-(benzyliminomethylidene)acetamide?
The canonical SMILES for N-(benzyliminomethylidene)acetamide is CC(=O)N=C=NCc1ccccc1.
What is the InChIKey of N-(benzyliminomethylidene)acetamide?
The InChIKey is WNRIIBWDEYCZJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10N2O/c1-9(13)12-8-11-7-10-5-3-2-4-6-10/h2-6H,7H2,1H3.
What are the key properties of N-(benzyliminomethylidene)acetamide?
N-(benzyliminomethylidene)acetamide has a molecular weight of 174.20 g/mol, XLogP of 1.91, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(benzyliminomethylidene)acetamide is sourced from PubChem (CID 159247893), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).