6-methyl-2,3-dihydro-1H-azulene

C11H12 — CID 123671849

IUPAC6-methyl-2,3-dihydro-1H-azulene
SMILESCC1=C=CC2=C(C=C1)CCC2
InChIInChI=1S/C11H12/c1-9-5-7-10-3-2-4-11(10)8-6-9/h5,7-8H,2-4H2,1H3
InChIKeyPCVCYWRNGMKUII-UHFFFAOYSA-N
MW144.22 g/mol
LogP3.14
Rot. Bonds

About 6-methyl-2,3-dihydro-1H-azulene

6-methyl-2,3-dihydro-1H-azulene (PubChem CID 123671849) has the molecular formula C11H12 and a molecular weight of 144.22 g/mol. Its IUPAC name is 6-methyl-2,3-dihydro-1H-azulene.

Molecular Properties

Compound Name6-methyl-2,3-dihydro-1H-azulene
PubChem CID123671849
Molecular FormulaC11H12
Molecular Weight144.22 g/mol
Exact Mass144.09
IUPAC Name6-methyl-2,3-dihydro-1H-azulene
SMILESCC1=C=CC2=C(C=C1)CCC2
InChIInChI=1S/C11H12/c1-9-5-7-10-3-2-4-11(10)8-6-9/h5,7-8H,2-4H2,1H3
InChIKeyPCVCYWRNGMKUII-UHFFFAOYSA-N
XLogP3.14
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500144.22
LogP ≤ 53.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

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3-methylcyclohexa-1,2,4-triene
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6-methylbicyclo[3.2.0]hepta-1(5),6-diene
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1-(2-methyl-5,6,7,8-tetrahydroquinolin-1-yl)propan-2-one
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ethane;6-methyl-2,3,4,5-tetrahydro-1H-indene
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Frequently Asked Questions

What is the IUPAC name of 6-methyl-2,3-dihydro-1H-azulene?
The IUPAC name of 6-methyl-2,3-dihydro-1H-azulene (CID 123671849) is 6-methyl-2,3-dihydro-1H-azulene.
What is the SMILES notation for 6-methyl-2,3-dihydro-1H-azulene?
The canonical SMILES for 6-methyl-2,3-dihydro-1H-azulene is CC1=C=CC2=C(C=C1)CCC2.
What is the InChIKey of 6-methyl-2,3-dihydro-1H-azulene?
The InChIKey is PCVCYWRNGMKUII-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12/c1-9-5-7-10-3-2-4-11(10)8-6-9/h5,7-8H,2-4H2,1H3.
What are the key properties of 6-methyl-2,3-dihydro-1H-azulene?
6-methyl-2,3-dihydro-1H-azulene has a molecular weight of 144.22 g/mol, XLogP of 3.14, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-2,3-dihydro-1H-azulene is sourced from PubChem (CID 123671849), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).