1,2-dihydroazulene

C10H10 — CID 22222769

IUPAC1,2-dihydroazulene
SMILESC1=CC=C2CCC=C2C=C1
InChIInChI=1S/C10H10/c1-2-5-9-7-4-8-10(9)6-3-1/h1-3,5-7H,4,8H2
InChIKeyUIBRZOTWRMHYFJ-UHFFFAOYSA-N
MW130.19 g/mol
LogP2.76
Rot. Bonds

About 1,2-dihydroazulene

1,2-dihydroazulene (PubChem CID 22222769) has the molecular formula C10H10 and a molecular weight of 130.19 g/mol. Its IUPAC name is 1,2-dihydroazulene.

Molecular Properties

Compound Name1,2-dihydroazulene
PubChem CID22222769
Molecular FormulaC10H10
Molecular Weight130.19 g/mol
Exact Mass130.08
IUPAC Name1,2-dihydroazulene
SMILESC1=CC=C2CCC=C2C=C1
InChIInChI=1S/C10H10/c1-2-5-9-7-4-8-10(9)6-3-1/h1-3,5-7H,4,8H2
InChIKeyUIBRZOTWRMHYFJ-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

Analyze 1,2-dihydroazulene with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1,2-dihydroazulene?
The IUPAC name of 1,2-dihydroazulene (CID 22222769) is 1,2-dihydroazulene.
What is the SMILES notation for 1,2-dihydroazulene?
The canonical SMILES for 1,2-dihydroazulene is C1=CC=C2CCC=C2C=C1.
What is the InChIKey of 1,2-dihydroazulene?
The InChIKey is UIBRZOTWRMHYFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10/c1-2-5-9-7-4-8-10(9)6-3-1/h1-3,5-7H,4,8H2.
What are the key properties of 1,2-dihydroazulene?
1,2-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 1,2-dihydroazulene is sourced from PubChem (CID 22222769), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).