azulene

C10H8 — CID 9231

IUPACazulene
SMILESc1ccc2cccc-2cc1
InChIInChI=1S/C10H8/c1-2-5-9-7-4-8-10(9)6-3-1/h1-8H
InChIKeyCUFNKYGDVFVPHO-UHFFFAOYSA-N
MW128.17 g/mol
LogP2.79
Rot. Bonds

About azulene

azulene (PubChem CID 9231) has the molecular formula C10H8 and a molecular weight of 128.17 g/mol. Its IUPAC name is azulene.

Molecular Properties

Compound Nameazulene
PubChem CID9231
Molecular FormulaC10H8
Molecular Weight128.17 g/mol
Exact Mass128.06
IUPAC Nameazulene
SMILESc1ccc2cccc-2cc1
InChIInChI=1S/C10H8/c1-2-5-9-7-4-8-10(9)6-3-1/h1-8H
InChIKeyCUFNKYGDVFVPHO-UHFFFAOYSA-N
XLogP2.79
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500128.17
LogP ≤ 52.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

Guaiazulene
CID 3515
Chamazulene
CID 10719
4,6,8-Trimethylazulene
CID 70333
Lactarazulene
CID 3083592
Cyclopentylbenzene
CID 136538
6-Methylazulene
CID 137139
Vetivazulene
CID 68253
1,4-Dimethyl-azulene
CID 6429347
Cyclopenta[ef]heptalene
CID 136031
1-Methylazulene
CID 136611
5-Methylazulene
CID 137140
1,6-Methano[10]annulene
CID 137603

Frequently Asked Questions

What is the IUPAC name of azulene?
The IUPAC name of azulene (CID 9231) is azulene.
What is the SMILES notation for azulene?
The canonical SMILES for azulene is c1ccc2cccc-2cc1.
What is the InChIKey of azulene?
The InChIKey is CUFNKYGDVFVPHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8/c1-2-5-9-7-4-8-10(9)6-3-1/h1-8H.
What are the key properties of azulene?
azulene has a molecular weight of 128.17 g/mol, XLogP of 2.79, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for azulene is sourced from PubChem (CID 9231), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).