N'-(2-acetylphenyl)methanimidamide;toluene

C16H18N2O — CID 142061937

IUPACN'-(2-acetylphenyl)methanimidamide;toluene
SMILESCC(=O)c1ccccc1/N=C/N.Cc1ccccc1
InChIInChI=1S/C9H10N2O.C7H8/c1-7(12)8-4-2-3-5-9(8)11-6-10;1-7-5-3-2-4-6-7/h2-6H,1H3,(H2,10,11);2-6H,1H3
InChIKeyFSMSJVXBZKSNDW-UHFFFAOYSA-N
MW254.33 g/mol
LogP3.50
Rot. Bonds2

About N'-(2-acetylphenyl)methanimidamide;toluene

N'-(2-acetylphenyl)methanimidamide;toluene (PubChem CID 142061937) has the molecular formula C16H18N2O and a molecular weight of 254.33 g/mol. Its IUPAC name is N'-(2-acetylphenyl)methanimidamide;toluene.

Molecular Properties

Compound NameN'-(2-acetylphenyl)methanimidamide;toluene
PubChem CID142061937
Molecular FormulaC16H18N2O
Molecular Weight254.33 g/mol
Exact Mass254.14
IUPAC NameN'-(2-acetylphenyl)methanimidamide;toluene
SMILESCC(=O)c1ccccc1/N=C/N.Cc1ccccc1
InChIInChI=1S/C9H10N2O.C7H8/c1-7(12)8-4-2-3-5-9(8)11-6-10;1-7-5-3-2-4-6-7/h2-6H,1H3,(H2,10,11);2-6H,1H3
InChIKeyFSMSJVXBZKSNDW-UHFFFAOYSA-N
XLogP3.50
TPSA55.45 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.33
LogP ≤ 53.50
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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Frequently Asked Questions

What is the IUPAC name of N'-(2-acetylphenyl)methanimidamide;toluene?
The IUPAC name of N'-(2-acetylphenyl)methanimidamide;toluene (CID 142061937) is N'-(2-acetylphenyl)methanimidamide;toluene.
What is the SMILES notation for N'-(2-acetylphenyl)methanimidamide;toluene?
The canonical SMILES for N'-(2-acetylphenyl)methanimidamide;toluene is CC(=O)c1ccccc1/N=C/N.Cc1ccccc1.
What is the InChIKey of N'-(2-acetylphenyl)methanimidamide;toluene?
The InChIKey is FSMSJVXBZKSNDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10N2O.C7H8/c1-7(12)8-4-2-3-5-9(8)11-6-10;1-7-5-3-2-4-6-7/h2-6H,1H3,(H2,10,11);2-6H,1H3.
What are the key properties of N'-(2-acetylphenyl)methanimidamide;toluene?
N'-(2-acetylphenyl)methanimidamide;toluene has a molecular weight of 254.33 g/mol, XLogP of 3.50, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(2-acetylphenyl)methanimidamide;toluene is sourced from PubChem (CID 142061937), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).