azulene-1,3-dicarbaldehyde

C12H8O2 — CID 10976152

IUPACazulene-1,3-dicarbaldehyde
SMILESO=Cc1cc(C=O)c2cccccc1-2
InChIInChI=1S/C12H8O2/c13-7-9-6-10(8-14)12-5-3-1-2-4-11(9)12/h1-8H
InChIKeyXFOPUARCKUPXFN-UHFFFAOYSA-N
MW184.19 g/mol
LogP2.42
Rot. Bonds2

About azulene-1,3-dicarbaldehyde

azulene-1,3-dicarbaldehyde (PubChem CID 10976152) has the molecular formula C12H8O2 and a molecular weight of 184.19 g/mol. Its IUPAC name is azulene-1,3-dicarbaldehyde.

Molecular Properties

Compound Nameazulene-1,3-dicarbaldehyde
PubChem CID10976152
Molecular FormulaC12H8O2
Molecular Weight184.19 g/mol
Exact Mass184.05
IUPAC Nameazulene-1,3-dicarbaldehyde
SMILESO=Cc1cc(C=O)c2cccccc1-2
InChIInChI=1S/C12H8O2/c13-7-9-6-10(8-14)12-5-3-1-2-4-11(9)12/h1-8H
InChIKeyXFOPUARCKUPXFN-UHFFFAOYSA-N
XLogP2.42
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.19
LogP ≤ 52.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of azulene-1,3-dicarbaldehyde?
The IUPAC name of azulene-1,3-dicarbaldehyde (CID 10976152) is azulene-1,3-dicarbaldehyde.
What is the SMILES notation for azulene-1,3-dicarbaldehyde?
The canonical SMILES for azulene-1,3-dicarbaldehyde is O=Cc1cc(C=O)c2cccccc1-2.
What is the InChIKey of azulene-1,3-dicarbaldehyde?
The InChIKey is XFOPUARCKUPXFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8O2/c13-7-9-6-10(8-14)12-5-3-1-2-4-11(9)12/h1-8H.
What are the key properties of azulene-1,3-dicarbaldehyde?
azulene-1,3-dicarbaldehyde has a molecular weight of 184.19 g/mol, XLogP of 2.42, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for azulene-1,3-dicarbaldehyde is sourced from PubChem (CID 10976152), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).