1,6-dihydroazulene

C10H10 — CID 10898747

IUPAC1,6-dihydroazulene
SMILESC1=CC2=C(C=CC1)CC=C2
InChIInChI=1S/C10H10/c1-2-5-9-7-4-8-10(9)6-3-1/h2-7H,1,8H2
InChIKeyAPIFYWUZMLOAPJ-UHFFFAOYSA-N
MW130.19 g/mol
LogP2.76
Rot. Bonds

About 1,6-dihydroazulene

1,6-dihydroazulene (PubChem CID 10898747) has the molecular formula C10H10 and a molecular weight of 130.19 g/mol. Its IUPAC name is 1,6-dihydroazulene.

Molecular Properties

Compound Name1,6-dihydroazulene
PubChem CID10898747
Molecular FormulaC10H10
Molecular Weight130.19 g/mol
Exact Mass130.08
IUPAC Name1,6-dihydroazulene
SMILESC1=CC2=C(C=CC1)CC=C2
InChIInChI=1S/C10H10/c1-2-5-9-7-4-8-10(9)6-3-1/h2-7H,1,8H2
InChIKeyAPIFYWUZMLOAPJ-UHFFFAOYSA-N
XLogP2.76
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500130.19
LogP ≤ 52.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 1,6-dihydroazulene?
The IUPAC name of 1,6-dihydroazulene (CID 10898747) is 1,6-dihydroazulene.
What is the SMILES notation for 1,6-dihydroazulene?
The canonical SMILES for 1,6-dihydroazulene is C1=CC2=C(C=CC1)CC=C2.
What is the InChIKey of 1,6-dihydroazulene?
The InChIKey is APIFYWUZMLOAPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10/c1-2-5-9-7-4-8-10(9)6-3-1/h2-7H,1,8H2.
What are the key properties of 1,6-dihydroazulene?
1,6-dihydroazulene has a molecular weight of 130.19 g/mol, XLogP of 2.76, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,6-dihydroazulene is sourced from PubChem (CID 10898747), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).