2-prop-2-enylimidazo[4,5-e]indazole

C11H8N4 — CID 67759638

IUPAC2-prop-2-enylimidazo[4,5-e]indazole
SMILESC=CCC1=Nc2c3c(ccc2=N1)=NN=C3
InChIInChI=1S/C11H8N4/c1-2-3-10-13-9-5-4-8-7(6-12-15-8)11(9)14-10/h2,4-6H,1,3H2
InChIKeyWGGRIBUYVGFFRG-UHFFFAOYSA-N
MW196.21 g/mol
LogP0.89
Rot. Bonds2

About 2-prop-2-enylimidazo[4,5-e]indazole

2-prop-2-enylimidazo[4,5-e]indazole (PubChem CID 67759638) has the molecular formula C11H8N4 and a molecular weight of 196.21 g/mol. Its IUPAC name is 2-prop-2-enylimidazo[4,5-e]indazole.

Molecular Properties

Compound Name2-prop-2-enylimidazo[4,5-e]indazole
PubChem CID67759638
Molecular FormulaC11H8N4
Molecular Weight196.21 g/mol
Exact Mass196.07
IUPAC Name2-prop-2-enylimidazo[4,5-e]indazole
SMILESC=CCC1=Nc2c3c(ccc2=N1)=NN=C3
InChIInChI=1S/C11H8N4/c1-2-3-10-13-9-5-4-8-7(6-12-15-8)11(9)14-10/h2,4-6H,1,3H2
InChIKeyWGGRIBUYVGFFRG-UHFFFAOYSA-N
XLogP0.89
TPSA49.44 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.21
LogP ≤ 50.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'quinone_A(370)', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-prop-2-enylimidazo[4,5-e]indazole?
The IUPAC name of 2-prop-2-enylimidazo[4,5-e]indazole (CID 67759638) is 2-prop-2-enylimidazo[4,5-e]indazole.
What is the SMILES notation for 2-prop-2-enylimidazo[4,5-e]indazole?
The canonical SMILES for 2-prop-2-enylimidazo[4,5-e]indazole is C=CCC1=Nc2c3c(ccc2=N1)=NN=C3.
What is the InChIKey of 2-prop-2-enylimidazo[4,5-e]indazole?
The InChIKey is WGGRIBUYVGFFRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8N4/c1-2-3-10-13-9-5-4-8-7(6-12-15-8)11(9)14-10/h2,4-6H,1,3H2.
What are the key properties of 2-prop-2-enylimidazo[4,5-e]indazole?
2-prop-2-enylimidazo[4,5-e]indazole has a molecular weight of 196.21 g/mol, XLogP of 0.89, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-prop-2-enylimidazo[4,5-e]indazole is sourced from PubChem (CID 67759638), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).