3,7-dibromoazulene-1,5-dione

C10H4Br2O2 — CID 11726819

IUPAC3,7-dibromoazulene-1,5-dione
SMILESO=C1C=C(Br)c2cc(=O)cc(Br)cc21
InChIInChI=1S/C10H4Br2O2/c11-5-1-6(13)3-7-8(2-5)10(14)4-9(7)12/h1-4H
InChIKeyUCMOTAVPWAJINM-UHFFFAOYSA-N
MW315.95 g/mol
LogP2.74
Rot. Bonds

About 3,7-dibromoazulene-1,5-dione

3,7-dibromoazulene-1,5-dione (PubChem CID 11726819) has the molecular formula C10H4Br2O2 and a molecular weight of 315.95 g/mol. Its IUPAC name is 3,7-dibromoazulene-1,5-dione.

Molecular Properties

Compound Name3,7-dibromoazulene-1,5-dione
PubChem CID11726819
Molecular FormulaC10H4Br2O2
Molecular Weight315.95 g/mol
Exact Mass313.86
IUPAC Name3,7-dibromoazulene-1,5-dione
SMILESO=C1C=C(Br)c2cc(=O)cc(Br)cc21
InChIInChI=1S/C10H4Br2O2/c11-5-1-6(13)3-7-8(2-5)10(14)4-9(7)12/h1-4H
InChIKeyUCMOTAVPWAJINM-UHFFFAOYSA-N
XLogP2.74
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.95
LogP ≤ 52.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3,7-dibromoazulene-1,5-dione?
The IUPAC name of 3,7-dibromoazulene-1,5-dione (CID 11726819) is 3,7-dibromoazulene-1,5-dione.
What is the SMILES notation for 3,7-dibromoazulene-1,5-dione?
The canonical SMILES for 3,7-dibromoazulene-1,5-dione is O=C1C=C(Br)c2cc(=O)cc(Br)cc21.
What is the InChIKey of 3,7-dibromoazulene-1,5-dione?
The InChIKey is UCMOTAVPWAJINM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H4Br2O2/c11-5-1-6(13)3-7-8(2-5)10(14)4-9(7)12/h1-4H.
What are the key properties of 3,7-dibromoazulene-1,5-dione?
3,7-dibromoazulene-1,5-dione has a molecular weight of 315.95 g/mol, XLogP of 2.74, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,7-dibromoazulene-1,5-dione is sourced from PubChem (CID 11726819), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).