2-methylazulene

C11H10 — CID 11126379

IUPAC2-methylazulene
SMILESCc1cc2cccccc-2c1
InChIInChI=1S/C11H10/c1-9-7-10-5-3-2-4-6-11(10)8-9/h2-8H,1H3
InChIKeyZRCFBHGCJAIXIH-UHFFFAOYSA-N
MW142.20 g/mol
LogP3.10
Rot. Bonds

About 2-methylazulene

2-methylazulene (PubChem CID 11126379) has the molecular formula C11H10 and a molecular weight of 142.20 g/mol. Its IUPAC name is 2-methylazulene.

Molecular Properties

Compound Name2-methylazulene
PubChem CID11126379
Molecular FormulaC11H10
Molecular Weight142.20 g/mol
Exact Mass142.08
IUPAC Name2-methylazulene
SMILESCc1cc2cccccc-2c1
InChIInChI=1S/C11H10/c1-9-7-10-5-3-2-4-6-11(10)8-9/h2-8H,1H3
InChIKeyZRCFBHGCJAIXIH-UHFFFAOYSA-N
XLogP3.10
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500142.20
LogP ≤ 53.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 2-methylazulene?
The IUPAC name of 2-methylazulene (CID 11126379) is 2-methylazulene.
What is the SMILES notation for 2-methylazulene?
The canonical SMILES for 2-methylazulene is Cc1cc2cccccc-2c1.
What is the InChIKey of 2-methylazulene?
The InChIKey is ZRCFBHGCJAIXIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10/c1-9-7-10-5-3-2-4-6-11(10)8-9/h2-8H,1H3.
What are the key properties of 2-methylazulene?
2-methylazulene has a molecular weight of 142.20 g/mol, XLogP of 3.10, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylazulene is sourced from PubChem (CID 11126379), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).