1,5,8-trimethyl-7,8-dihydro-6H-azuleno[6,5-b]furan-2-one

C15H16O2 — CID 78171602

IUPAC1,5,8-trimethyl-7,8-dihydro-6H-azuleno[6,5-b]furan-2-one
SMILESCc1cc2oc(=O)c(C)c-2cc2c1CCC2C
InChIInChI=1S/C15H16O2/c1-8-4-5-11-9(2)6-14-13(7-12(8)11)10(3)15(16)17-14/h6-8H,4-5H2,1-3H3
InChIKeyOGJFTQVVQQMGJG-UHFFFAOYSA-N
MW228.29 g/mol
LogP3.41
Rot. Bonds

About 1,5,8-trimethyl-7,8-dihydro-6H-azuleno[6,5-b]furan-2-one

1,5,8-trimethyl-7,8-dihydro-6H-azuleno[6,5-b]furan-2-one (PubChem CID 78171602) has the molecular formula C15H16O2 and a molecular weight of 228.29 g/mol. Its IUPAC name is 1,5,8-trimethyl-7,8-dihydro-6H-azuleno[6,5-b]furan-2-one.

Molecular Properties

Compound Name1,5,8-trimethyl-7,8-dihydro-6H-azuleno[6,5-b]furan-2-one
PubChem CID78171602
Molecular FormulaC15H16O2
Molecular Weight228.29 g/mol
Exact Mass228.12
IUPAC Name1,5,8-trimethyl-7,8-dihydro-6H-azuleno[6,5-b]furan-2-one
SMILESCc1cc2oc(=O)c(C)c-2cc2c1CCC2C
InChIInChI=1S/C15H16O2/c1-8-4-5-11-9(2)6-14-13(7-12(8)11)10(3)15(16)17-14/h6-8H,4-5H2,1-3H3
InChIKeyOGJFTQVVQQMGJG-UHFFFAOYSA-N
XLogP3.41
TPSA30.21 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.29
LogP ≤ 53.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1,5,8-trimethyl-7,8-dihydro-6H-azuleno[6,5-b]furan-2-one?
The IUPAC name of 1,5,8-trimethyl-7,8-dihydro-6H-azuleno[6,5-b]furan-2-one (CID 78171602) is 1,5,8-trimethyl-7,8-dihydro-6H-azuleno[6,5-b]furan-2-one.
What is the SMILES notation for 1,5,8-trimethyl-7,8-dihydro-6H-azuleno[6,5-b]furan-2-one?
The canonical SMILES for 1,5,8-trimethyl-7,8-dihydro-6H-azuleno[6,5-b]furan-2-one is Cc1cc2oc(=O)c(C)c-2cc2c1CCC2C.
What is the InChIKey of 1,5,8-trimethyl-7,8-dihydro-6H-azuleno[6,5-b]furan-2-one?
The InChIKey is OGJFTQVVQQMGJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16O2/c1-8-4-5-11-9(2)6-14-13(7-12(8)11)10(3)15(16)17-14/h6-8H,4-5H2,1-3H3.
What are the key properties of 1,5,8-trimethyl-7,8-dihydro-6H-azuleno[6,5-b]furan-2-one?
1,5,8-trimethyl-7,8-dihydro-6H-azuleno[6,5-b]furan-2-one has a molecular weight of 228.29 g/mol, XLogP of 3.41, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,5,8-trimethyl-7,8-dihydro-6H-azuleno[6,5-b]furan-2-one is sourced from PubChem (CID 78171602), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).