2-(3,6-dimethylindazol-1-yl)acetaldehyde

C11H12N2O — CID 83829090

IUPAC2-(3,6-dimethylindazol-1-yl)acetaldehyde
SMILESCc1ccc2c(C)nn(CC=O)c2c1
InChIInChI=1S/C11H12N2O/c1-8-3-4-10-9(2)12-13(5-6-14)11(10)7-8/h3-4,6-7H,5H2,1-2H3
InChIKeyZWASLDOKSBBHQF-UHFFFAOYSA-N
MW188.23 g/mol
LogP1.85
Rot. Bonds2

About 2-(3,6-dimethylindazol-1-yl)acetaldehyde

2-(3,6-dimethylindazol-1-yl)acetaldehyde (PubChem CID 83829090) has the molecular formula C11H12N2O and a molecular weight of 188.23 g/mol. Its IUPAC name is 2-(3,6-dimethylindazol-1-yl)acetaldehyde.

Molecular Properties

Compound Name2-(3,6-dimethylindazol-1-yl)acetaldehyde
PubChem CID83829090
Molecular FormulaC11H12N2O
Molecular Weight188.23 g/mol
Exact Mass188.09
IUPAC Name2-(3,6-dimethylindazol-1-yl)acetaldehyde
SMILESCc1ccc2c(C)nn(CC=O)c2c1
InChIInChI=1S/C11H12N2O/c1-8-3-4-10-9(2)12-13(5-6-14)11(10)7-8/h3-4,6-7H,5H2,1-2H3
InChIKeyZWASLDOKSBBHQF-UHFFFAOYSA-N
XLogP1.85
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.23
LogP ≤ 51.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(3,6-dimethylindazol-1-yl)acetaldehyde?
The IUPAC name of 2-(3,6-dimethylindazol-1-yl)acetaldehyde (CID 83829090) is 2-(3,6-dimethylindazol-1-yl)acetaldehyde.
What is the SMILES notation for 2-(3,6-dimethylindazol-1-yl)acetaldehyde?
The canonical SMILES for 2-(3,6-dimethylindazol-1-yl)acetaldehyde is Cc1ccc2c(C)nn(CC=O)c2c1.
What is the InChIKey of 2-(3,6-dimethylindazol-1-yl)acetaldehyde?
The InChIKey is ZWASLDOKSBBHQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N2O/c1-8-3-4-10-9(2)12-13(5-6-14)11(10)7-8/h3-4,6-7H,5H2,1-2H3.
What are the key properties of 2-(3,6-dimethylindazol-1-yl)acetaldehyde?
2-(3,6-dimethylindazol-1-yl)acetaldehyde has a molecular weight of 188.23 g/mol, XLogP of 1.85, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,6-dimethylindazol-1-yl)acetaldehyde is sourced from PubChem (CID 83829090), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).