1-(1H-perimidin-2-yl)ethanone

C13H10N2O — CID 70502631

IUPAC1-(1H-perimidin-2-yl)ethanone
SMILESCC(=O)C1=Nc2cccc3cccc(c23)N1
InChIInChI=1S/C13H10N2O/c1-8(16)13-14-10-6-2-4-9-5-3-7-11(15-13)12(9)10/h2-7H,1H3,(H,14,15)
InChIKeyUEXCMIAWUMQGFN-UHFFFAOYSA-N
MW210.24 g/mol
LogP2.88
Rot. Bonds1

About 1-(1H-perimidin-2-yl)ethanone

1-(1H-perimidin-2-yl)ethanone (PubChem CID 70502631) has the molecular formula C13H10N2O and a molecular weight of 210.24 g/mol. Its IUPAC name is 1-(1H-perimidin-2-yl)ethanone.

Molecular Properties

Compound Name1-(1H-perimidin-2-yl)ethanone
PubChem CID70502631
Molecular FormulaC13H10N2O
Molecular Weight210.24 g/mol
Exact Mass210.08
IUPAC Name1-(1H-perimidin-2-yl)ethanone
SMILESCC(=O)C1=Nc2cccc3cccc(c23)N1
InChIInChI=1S/C13H10N2O/c1-8(16)13-14-10-6-2-4-9-5-3-7-11(15-13)12(9)10/h2-7H,1H3,(H,14,15)
InChIKeyUEXCMIAWUMQGFN-UHFFFAOYSA-N
XLogP2.88
TPSA41.46 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.24
LogP ≤ 52.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'naphth_amino_A(25)', 'substructure': 'N/A'}

Analyze 1-(1H-perimidin-2-yl)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-(1H-perimidin-2-yl)ethanone?
The IUPAC name of 1-(1H-perimidin-2-yl)ethanone (CID 70502631) is 1-(1H-perimidin-2-yl)ethanone.
What is the SMILES notation for 1-(1H-perimidin-2-yl)ethanone?
The canonical SMILES for 1-(1H-perimidin-2-yl)ethanone is CC(=O)C1=Nc2cccc3cccc(c23)N1.
What is the InChIKey of 1-(1H-perimidin-2-yl)ethanone?
The InChIKey is UEXCMIAWUMQGFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10N2O/c1-8(16)13-14-10-6-2-4-9-5-3-7-11(15-13)12(9)10/h2-7H,1H3,(H,14,15).
What are the key properties of 1-(1H-perimidin-2-yl)ethanone?
1-(1H-perimidin-2-yl)ethanone has a molecular weight of 210.24 g/mol, XLogP of 2.88, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1H-perimidin-2-yl)ethanone is sourced from PubChem (CID 70502631), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).