2-ethenyl-1H-perimidine

C13H10N2 — CID 71414053

IUPAC2-ethenyl-1H-perimidine
SMILESC=CC1=Nc2cccc3cccc(c23)N1
InChIInChI=1S/C13H10N2/c1-2-12-14-10-7-3-5-9-6-4-8-11(15-12)13(9)10/h2-8H,1H2,(H,14,15)
InChIKeyXYOJTCIACRNABV-UHFFFAOYSA-N
MW194.24 g/mol
LogP3.48
Rot. Bonds1

About 2-ethenyl-1H-perimidine

2-ethenyl-1H-perimidine (PubChem CID 71414053) has the molecular formula C13H10N2 and a molecular weight of 194.24 g/mol. Its IUPAC name is 2-ethenyl-1H-perimidine.

Molecular Properties

Compound Name2-ethenyl-1H-perimidine
PubChem CID71414053
Molecular FormulaC13H10N2
Molecular Weight194.24 g/mol
Exact Mass194.08
IUPAC Name2-ethenyl-1H-perimidine
SMILESC=CC1=Nc2cccc3cccc(c23)N1
InChIInChI=1S/C13H10N2/c1-2-12-14-10-7-3-5-9-6-4-8-11(15-12)13(9)10/h2-8H,1H2,(H,14,15)
InChIKeyXYOJTCIACRNABV-UHFFFAOYSA-N
XLogP3.48
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.24
LogP ≤ 53.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-ethenyl-1H-perimidine?
The IUPAC name of 2-ethenyl-1H-perimidine (CID 71414053) is 2-ethenyl-1H-perimidine.
What is the SMILES notation for 2-ethenyl-1H-perimidine?
The canonical SMILES for 2-ethenyl-1H-perimidine is C=CC1=Nc2cccc3cccc(c23)N1.
What is the InChIKey of 2-ethenyl-1H-perimidine?
The InChIKey is XYOJTCIACRNABV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10N2/c1-2-12-14-10-7-3-5-9-6-4-8-11(15-12)13(9)10/h2-8H,1H2,(H,14,15).
What are the key properties of 2-ethenyl-1H-perimidine?
2-ethenyl-1H-perimidine has a molecular weight of 194.24 g/mol, XLogP of 3.48, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethenyl-1H-perimidine is sourced from PubChem (CID 71414053), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).