2-cinnolin-4-ylacetaldehyde

C10H8N2O — CID 83874132

IUPAC2-cinnolin-4-ylacetaldehyde
SMILESO=CCc1cnnc2ccccc12
InChIInChI=1S/C10H8N2O/c13-6-5-8-7-11-12-10-4-2-1-3-9(8)10/h1-4,6-7H,5H2
InChIKeyBGGWJHFIKHPLDE-UHFFFAOYSA-N
MW172.19 g/mol
LogP1.37
Rot. Bonds2

About 2-cinnolin-4-ylacetaldehyde

2-cinnolin-4-ylacetaldehyde (PubChem CID 83874132) has the molecular formula C10H8N2O and a molecular weight of 172.19 g/mol. Its IUPAC name is 2-cinnolin-4-ylacetaldehyde.

Molecular Properties

Compound Name2-cinnolin-4-ylacetaldehyde
PubChem CID83874132
Molecular FormulaC10H8N2O
Molecular Weight172.19 g/mol
Exact Mass172.06
IUPAC Name2-cinnolin-4-ylacetaldehyde
SMILESO=CCc1cnnc2ccccc12
InChIInChI=1S/C10H8N2O/c13-6-5-8-7-11-12-10-4-2-1-3-9(8)10/h1-4,6-7H,5H2
InChIKeyBGGWJHFIKHPLDE-UHFFFAOYSA-N
XLogP1.37
TPSA42.85 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.19
LogP ≤ 51.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-ethylcinnoline
CID 54530021
4-(2,2-dimethylpropyl)cinnoline
CID 130295977
N-cinnolin-4-ylformamide
CID 87322157
2-cinnolin-4-yl-N'-hydroxyethanimidamide
CID 83881146
2-naphthalen-1-ylacetaldehyde
CID 12570786
oxo-[2-(2-oxoethyl)phenyl]azanium
CID 164775113
cinnolin-4-amine;hydrochloride
CID 171504338
2-cinnolin-4-yl-1-cyclopropylethanol
CID 63587148
4-(piperazin-1-ylmethyl)cinnoline
CID 83893270
4-(2-chloro-2-cyclopropylethyl)cinnoline
CID 63588291
1-cinnolin-4-yl-N-ethylpropan-2-amine
CID 63586050
cinnoline-4-sulfinic acid
CID 67246299

Frequently Asked Questions

What is the IUPAC name of 2-cinnolin-4-ylacetaldehyde?
The IUPAC name of 2-cinnolin-4-ylacetaldehyde (CID 83874132) is 2-cinnolin-4-ylacetaldehyde.
What is the SMILES notation for 2-cinnolin-4-ylacetaldehyde?
The canonical SMILES for 2-cinnolin-4-ylacetaldehyde is O=CCc1cnnc2ccccc12.
What is the InChIKey of 2-cinnolin-4-ylacetaldehyde?
The InChIKey is BGGWJHFIKHPLDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8N2O/c13-6-5-8-7-11-12-10-4-2-1-3-9(8)10/h1-4,6-7H,5H2.
What are the key properties of 2-cinnolin-4-ylacetaldehyde?
2-cinnolin-4-ylacetaldehyde has a molecular weight of 172.19 g/mol, XLogP of 1.37, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cinnolin-4-ylacetaldehyde is sourced from PubChem (CID 83874132), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).