6-methyl-4-prop-2-enylsulfanyl-1H-furo[3,4-c]pyridin-3-one

C11H11NO2S — CID 4918515

IUPAC6-methyl-4-prop-2-enylsulfanyl-1H-furo[3,4-c]pyridin-3-one
SMILESC=CCSc1nc(C)cc2c1C(=O)OC2
InChIInChI=1S/C11H11NO2S/c1-3-4-15-10-9-8(5-7(2)12-10)6-14-11(9)13/h3,5H,1,4,6H2,2H3
InChIKeyVOJJYVULWWMTCQ-UHFFFAOYSA-N
MW221.28 g/mol
LogP2.34
Rot. Bonds3

About 6-methyl-4-prop-2-enylsulfanyl-1H-furo[3,4-c]pyridin-3-one

6-methyl-4-prop-2-enylsulfanyl-1H-furo[3,4-c]pyridin-3-one (PubChem CID 4918515) has the molecular formula C11H11NO2S and a molecular weight of 221.28 g/mol. Its IUPAC name is 6-methyl-4-prop-2-enylsulfanyl-1H-furo[3,4-c]pyridin-3-one.

Molecular Properties

Compound Name6-methyl-4-prop-2-enylsulfanyl-1H-furo[3,4-c]pyridin-3-one
PubChem CID4918515
Molecular FormulaC11H11NO2S
Molecular Weight221.28 g/mol
Exact Mass221.05
IUPAC Name6-methyl-4-prop-2-enylsulfanyl-1H-furo[3,4-c]pyridin-3-one
SMILESC=CCSc1nc(C)cc2c1C(=O)OC2
InChIInChI=1S/C11H11NO2S/c1-3-4-15-10-9-8(5-7(2)12-10)6-14-11(9)13/h3,5H,1,4,6H2,2H3
InChIKeyVOJJYVULWWMTCQ-UHFFFAOYSA-N
XLogP2.34
TPSA39.19 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.28
LogP ≤ 52.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze 6-methyl-4-prop-2-enylsulfanyl-1H-furo[3,4-c]pyridin-3-one 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 6-methyl-4-prop-2-enylsulfanyl-1H-furo[3,4-c]pyridin-3-one?
The IUPAC name of 6-methyl-4-prop-2-enylsulfanyl-1H-furo[3,4-c]pyridin-3-one (CID 4918515) is 6-methyl-4-prop-2-enylsulfanyl-1H-furo[3,4-c]pyridin-3-one.
What is the SMILES notation for 6-methyl-4-prop-2-enylsulfanyl-1H-furo[3,4-c]pyridin-3-one?
The canonical SMILES for 6-methyl-4-prop-2-enylsulfanyl-1H-furo[3,4-c]pyridin-3-one is C=CCSc1nc(C)cc2c1C(=O)OC2.
What is the InChIKey of 6-methyl-4-prop-2-enylsulfanyl-1H-furo[3,4-c]pyridin-3-one?
The InChIKey is VOJJYVULWWMTCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11NO2S/c1-3-4-15-10-9-8(5-7(2)12-10)6-14-11(9)13/h3,5H,1,4,6H2,2H3.
What are the key properties of 6-methyl-4-prop-2-enylsulfanyl-1H-furo[3,4-c]pyridin-3-one?
6-methyl-4-prop-2-enylsulfanyl-1H-furo[3,4-c]pyridin-3-one has a molecular weight of 221.28 g/mol, XLogP of 2.34, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-4-prop-2-enylsulfanyl-1H-furo[3,4-c]pyridin-3-one is sourced from PubChem (CID 4918515), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).