azulene-1-carbaldehyde

C11H8O — CID 11744870

IUPACazulene-1-carbaldehyde
SMILESO=Cc1ccc2cccccc1-2
InChIInChI=1S/C11H8O/c12-8-10-7-6-9-4-2-1-3-5-11(9)10/h1-8H
InChIKeyCZRXLQPVJOJLML-UHFFFAOYSA-N
MW156.18 g/mol
LogP2.60
Rot. Bonds1

About azulene-1-carbaldehyde

azulene-1-carbaldehyde (PubChem CID 11744870) has the molecular formula C11H8O and a molecular weight of 156.18 g/mol. Its IUPAC name is azulene-1-carbaldehyde.

Molecular Properties

Compound Nameazulene-1-carbaldehyde
PubChem CID11744870
Molecular FormulaC11H8O
Molecular Weight156.18 g/mol
Exact Mass156.06
IUPAC Nameazulene-1-carbaldehyde
SMILESO=Cc1ccc2cccccc1-2
InChIInChI=1S/C11H8O/c12-8-10-7-6-9-4-2-1-3-5-11(9)10/h1-8H
InChIKeyCZRXLQPVJOJLML-UHFFFAOYSA-N
XLogP2.60
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.18
LogP ≤ 52.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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-carbaldehyde?
The IUPAC name of azulene-1-carbaldehyde (CID 11744870) is azulene-1-carbaldehyde.
What is the SMILES notation for azulene-1-carbaldehyde?
The canonical SMILES for azulene-1-carbaldehyde is O=Cc1ccc2cccccc1-2.
What is the InChIKey of azulene-1-carbaldehyde?
The InChIKey is CZRXLQPVJOJLML-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8O/c12-8-10-7-6-9-4-2-1-3-5-11(9)10/h1-8H.
What are the key properties of azulene-1-carbaldehyde?
azulene-1-carbaldehyde has a molecular weight of 156.18 g/mol, XLogP of 2.60, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for azulene-1-carbaldehyde is sourced from PubChem (CID 11744870), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).