1,5,8-trimethyl-3a,4-dihydroazuleno[6,5-b]furan-2,6-dione

C15H14O3 — CID 5241825

IUPAC1,5,8-trimethyl-3a,4-dihydroazuleno[6,5-b]furan-2,6-dione
SMILESCC1=CC(=O)C2=C(C)CC3OC(=O)C(C)=C3C=C12
InChIInChI=1S/C15H14O3/c1-7-4-12(16)14-8(2)5-13-11(6-10(7)14)9(3)15(17)18-13/h4,6,13H,5H2,1-3H3
InChIKeyBAHMQESJBKGPTE-UHFFFAOYSA-N
MW242.27 g/mol
LogP2.40
Rot. Bonds

About 1,5,8-trimethyl-3a,4-dihydroazuleno[6,5-b]furan-2,6-dione

1,5,8-trimethyl-3a,4-dihydroazuleno[6,5-b]furan-2,6-dione (PubChem CID 5241825) has the molecular formula C15H14O3 and a molecular weight of 242.27 g/mol. Its IUPAC name is 1,5,8-trimethyl-3a,4-dihydroazuleno[6,5-b]furan-2,6-dione.

Molecular Properties

Compound Name1,5,8-trimethyl-3a,4-dihydroazuleno[6,5-b]furan-2,6-dione
PubChem CID5241825
Molecular FormulaC15H14O3
Molecular Weight242.27 g/mol
Exact Mass242.09
IUPAC Name1,5,8-trimethyl-3a,4-dihydroazuleno[6,5-b]furan-2,6-dione
SMILESCC1=CC(=O)C2=C(C)CC3OC(=O)C(C)=C3C=C12
InChIInChI=1S/C15H14O3/c1-7-4-12(16)14-8(2)5-13-11(6-10(7)14)9(3)15(17)18-13/h4,6,13H,5H2,1-3H3
InChIKeyBAHMQESJBKGPTE-UHFFFAOYSA-N
XLogP2.40
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.27
LogP ≤ 52.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1,5,8-trimethyl-3a,4-dihydroazuleno[6,5-b]furan-2,6-dione?
The IUPAC name of 1,5,8-trimethyl-3a,4-dihydroazuleno[6,5-b]furan-2,6-dione (CID 5241825) is 1,5,8-trimethyl-3a,4-dihydroazuleno[6,5-b]furan-2,6-dione.
What is the SMILES notation for 1,5,8-trimethyl-3a,4-dihydroazuleno[6,5-b]furan-2,6-dione?
The canonical SMILES for 1,5,8-trimethyl-3a,4-dihydroazuleno[6,5-b]furan-2,6-dione is CC1=CC(=O)C2=C(C)CC3OC(=O)C(C)=C3C=C12.
What is the InChIKey of 1,5,8-trimethyl-3a,4-dihydroazuleno[6,5-b]furan-2,6-dione?
The InChIKey is BAHMQESJBKGPTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14O3/c1-7-4-12(16)14-8(2)5-13-11(6-10(7)14)9(3)15(17)18-13/h4,6,13H,5H2,1-3H3.
What are the key properties of 1,5,8-trimethyl-3a,4-dihydroazuleno[6,5-b]furan-2,6-dione?
1,5,8-trimethyl-3a,4-dihydroazuleno[6,5-b]furan-2,6-dione has a molecular weight of 242.27 g/mol, XLogP of 2.40, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,5,8-trimethyl-3a,4-dihydroazuleno[6,5-b]furan-2,6-dione is sourced from PubChem (CID 5241825), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).