1-(3-methanimidoylphenyl)ethanone

C9H9NO — CID 89337497

IUPAC1-(3-methanimidoylphenyl)ethanone
SMILES[H]/N=C/c1cccc(C(C)=O)c1
InChIInChI=1S/C9H9NO/c1-7(11)9-4-2-3-8(5-9)6-10/h2-6,10H,1H3/b10-6+
InChIKeyAJHVTVZYTMITEC-UXBLZVDNSA-N
MW147.18 g/mol
LogP1.89
Rot. Bonds2

About 1-(3-methanimidoylphenyl)ethanone

1-(3-methanimidoylphenyl)ethanone (PubChem CID 89337497) has the molecular formula C9H9NO and a molecular weight of 147.18 g/mol. Its IUPAC name is 1-(3-methanimidoylphenyl)ethanone.

Molecular Properties

Compound Name1-(3-methanimidoylphenyl)ethanone
PubChem CID89337497
Molecular FormulaC9H9NO
Molecular Weight147.18 g/mol
Exact Mass147.07
IUPAC Name1-(3-methanimidoylphenyl)ethanone
SMILES[H]/N=C/c1cccc(C(C)=O)c1
InChIInChI=1S/C9H9NO/c1-7(11)9-4-2-3-8(5-9)6-10/h2-6,10H,1H3/b10-6+
InChIKeyAJHVTVZYTMITEC-UXBLZVDNSA-N
XLogP1.89
TPSA40.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500147.18
LogP ≤ 51.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 1-(3-methanimidoylphenyl)ethanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-(3-methanimidoylphenyl)ethanone?
The IUPAC name of 1-(3-methanimidoylphenyl)ethanone (CID 89337497) is 1-(3-methanimidoylphenyl)ethanone.
What is the SMILES notation for 1-(3-methanimidoylphenyl)ethanone?
The canonical SMILES for 1-(3-methanimidoylphenyl)ethanone is [H]/N=C/c1cccc(C(C)=O)c1.
What is the InChIKey of 1-(3-methanimidoylphenyl)ethanone?
The InChIKey is AJHVTVZYTMITEC-UXBLZVDNSA-N. The full InChI is InChI=1S/C9H9NO/c1-7(11)9-4-2-3-8(5-9)6-10/h2-6,10H,1H3/b10-6+.
What are the key properties of 1-(3-methanimidoylphenyl)ethanone?
1-(3-methanimidoylphenyl)ethanone has a molecular weight of 147.18 g/mol, XLogP of 1.89, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-methanimidoylphenyl)ethanone is sourced from PubChem (CID 89337497), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).