azulene-1,7-dione

C10H6O2 — CID 13303239

IUPACazulene-1,7-dione
SMILESO=C1C=Cc2cccc(=O)cc21
InChIInChI=1S/C10H6O2/c11-8-3-1-2-7-4-5-10(12)9(7)6-8/h1-6H
InChIKeyKWRFZQJQIJAKAR-UHFFFAOYSA-N
MW158.16 g/mol
LogP1.26
Rot. Bonds

About azulene-1,7-dione

azulene-1,7-dione (PubChem CID 13303239) has the molecular formula C10H6O2 and a molecular weight of 158.16 g/mol. Its IUPAC name is azulene-1,7-dione.

Molecular Properties

Compound Nameazulene-1,7-dione
PubChem CID13303239
Molecular FormulaC10H6O2
Molecular Weight158.16 g/mol
Exact Mass158.04
IUPAC Nameazulene-1,7-dione
SMILESO=C1C=Cc2cccc(=O)cc21
InChIInChI=1S/C10H6O2/c11-8-3-1-2-7-4-5-10(12)9(7)6-8/h1-6H
InChIKeyKWRFZQJQIJAKAR-UHFFFAOYSA-N
XLogP1.26
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500158.16
LogP ≤ 51.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of azulene-1,7-dione?
The IUPAC name of azulene-1,7-dione (CID 13303239) is azulene-1,7-dione.
What is the SMILES notation for azulene-1,7-dione?
The canonical SMILES for azulene-1,7-dione is O=C1C=Cc2cccc(=O)cc21.
What is the InChIKey of azulene-1,7-dione?
The InChIKey is KWRFZQJQIJAKAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H6O2/c11-8-3-1-2-7-4-5-10(12)9(7)6-8/h1-6H.
What are the key properties of azulene-1,7-dione?
azulene-1,7-dione has a molecular weight of 158.16 g/mol, XLogP of 1.26, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for azulene-1,7-dione is sourced from PubChem (CID 13303239), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).