3-ethenoxy-1H-indazole

C9H8N2O — CID 66892390

IUPAC3-ethenoxy-1H-indazole
SMILESC=COc1n[nH]c2ccccc12
InChIInChI=1S/C9H8N2O/c1-2-12-9-7-5-3-4-6-8(7)10-11-9/h2-6H,1H2,(H,10,11)
InChIKeyJUXVRBQIQBVOSG-UHFFFAOYSA-N
MW160.18 g/mol
LogP2.09
Rot. Bonds2

About 3-ethenoxy-1H-indazole

3-ethenoxy-1H-indazole (PubChem CID 66892390) has the molecular formula C9H8N2O and a molecular weight of 160.18 g/mol. Its IUPAC name is 3-ethenoxy-1H-indazole.

Molecular Properties

Compound Name3-ethenoxy-1H-indazole
PubChem CID66892390
Molecular FormulaC9H8N2O
Molecular Weight160.18 g/mol
Exact Mass160.06
IUPAC Name3-ethenoxy-1H-indazole
SMILESC=COc1n[nH]c2ccccc12
InChIInChI=1S/C9H8N2O/c1-2-12-9-7-5-3-4-6-8(7)10-11-9/h2-6H,1H2,(H,10,11)
InChIKeyJUXVRBQIQBVOSG-UHFFFAOYSA-N
XLogP2.09
TPSA37.91 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500160.18
LogP ≤ 52.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-ethenoxy-1H-indazole?
The IUPAC name of 3-ethenoxy-1H-indazole (CID 66892390) is 3-ethenoxy-1H-indazole.
What is the SMILES notation for 3-ethenoxy-1H-indazole?
The canonical SMILES for 3-ethenoxy-1H-indazole is C=COc1n[nH]c2ccccc12.
What is the InChIKey of 3-ethenoxy-1H-indazole?
The InChIKey is JUXVRBQIQBVOSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8N2O/c1-2-12-9-7-5-3-4-6-8(7)10-11-9/h2-6H,1H2,(H,10,11).
What are the key properties of 3-ethenoxy-1H-indazole?
3-ethenoxy-1H-indazole has a molecular weight of 160.18 g/mol, XLogP of 2.09, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethenoxy-1H-indazole is sourced from PubChem (CID 66892390), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).