4-(2,3-dimethyl-1-benzofuran-7-yl)piperidine-2,6-dione

C15H15NO3 — CID 23468822

IUPAC4-(2,3-dimethyl-1-benzofuran-7-yl)piperidine-2,6-dione
SMILESCc1oc2c(C3CC(=O)NC(=O)C3)cccc2c1C
InChIInChI=1S/C15H15NO3/c1-8-9(2)19-15-11(8)4-3-5-12(15)10-6-13(17)16-14(18)7-10/h3-5,10H,6-7H2,1-2H3,(H,16,17,18)
InChIKeyYSBYWRMPQYKAIS-UHFFFAOYSA-N
MW257.29 g/mol
LogP2.57
Rot. Bonds1

About 4-(2,3-dimethyl-1-benzofuran-7-yl)piperidine-2,6-dione

4-(2,3-dimethyl-1-benzofuran-7-yl)piperidine-2,6-dione (PubChem CID 23468822) has the molecular formula C15H15NO3 and a molecular weight of 257.29 g/mol. Its IUPAC name is 4-(2,3-dimethyl-1-benzofuran-7-yl)piperidine-2,6-dione.

Molecular Properties

Compound Name4-(2,3-dimethyl-1-benzofuran-7-yl)piperidine-2,6-dione
PubChem CID23468822
Molecular FormulaC15H15NO3
Molecular Weight257.29 g/mol
Exact Mass257.11
IUPAC Name4-(2,3-dimethyl-1-benzofuran-7-yl)piperidine-2,6-dione
SMILESCc1oc2c(C3CC(=O)NC(=O)C3)cccc2c1C
InChIInChI=1S/C15H15NO3/c1-8-9(2)19-15-11(8)4-3-5-12(15)10-6-13(17)16-14(18)7-10/h3-5,10H,6-7H2,1-2H3,(H,16,17,18)
InChIKeyYSBYWRMPQYKAIS-UHFFFAOYSA-N
XLogP2.57
TPSA59.31 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.29
LogP ≤ 52.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-(2,3-dimethyl-1-benzofuran-7-yl)piperidine-2,6-dione?
The IUPAC name of 4-(2,3-dimethyl-1-benzofuran-7-yl)piperidine-2,6-dione (CID 23468822) is 4-(2,3-dimethyl-1-benzofuran-7-yl)piperidine-2,6-dione.
What is the SMILES notation for 4-(2,3-dimethyl-1-benzofuran-7-yl)piperidine-2,6-dione?
The canonical SMILES for 4-(2,3-dimethyl-1-benzofuran-7-yl)piperidine-2,6-dione is Cc1oc2c(C3CC(=O)NC(=O)C3)cccc2c1C.
What is the InChIKey of 4-(2,3-dimethyl-1-benzofuran-7-yl)piperidine-2,6-dione?
The InChIKey is YSBYWRMPQYKAIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15NO3/c1-8-9(2)19-15-11(8)4-3-5-12(15)10-6-13(17)16-14(18)7-10/h3-5,10H,6-7H2,1-2H3,(H,16,17,18).
What are the key properties of 4-(2,3-dimethyl-1-benzofuran-7-yl)piperidine-2,6-dione?
4-(2,3-dimethyl-1-benzofuran-7-yl)piperidine-2,6-dione has a molecular weight of 257.29 g/mol, XLogP of 2.57, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,3-dimethyl-1-benzofuran-7-yl)piperidine-2,6-dione is sourced from PubChem (CID 23468822), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).