3-(2,3-dimethyl-1-benzofuran-6-yl)-1-methylpiperidine-2,6-dione

C16H17NO3 — CID 23468838

IUPAC3-(2,3-dimethyl-1-benzofuran-6-yl)-1-methylpiperidine-2,6-dione
SMILESCc1oc2cc(C3CCC(=O)N(C)C3=O)ccc2c1C
InChIInChI=1S/C16H17NO3/c1-9-10(2)20-14-8-11(4-5-12(9)14)13-6-7-15(18)17(3)16(13)19/h4-5,8,13H,6-7H2,1-3H3
InChIKeySMALXZUHJMARIL-UHFFFAOYSA-N
MW271.32 g/mol
LogP2.91
Rot. Bonds1

About 3-(2,3-dimethyl-1-benzofuran-6-yl)-1-methylpiperidine-2,6-dione

3-(2,3-dimethyl-1-benzofuran-6-yl)-1-methylpiperidine-2,6-dione (PubChem CID 23468838) has the molecular formula C16H17NO3 and a molecular weight of 271.32 g/mol. Its IUPAC name is 3-(2,3-dimethyl-1-benzofuran-6-yl)-1-methylpiperidine-2,6-dione.

Molecular Properties

Compound Name3-(2,3-dimethyl-1-benzofuran-6-yl)-1-methylpiperidine-2,6-dione
PubChem CID23468838
Molecular FormulaC16H17NO3
Molecular Weight271.32 g/mol
Exact Mass271.12
IUPAC Name3-(2,3-dimethyl-1-benzofuran-6-yl)-1-methylpiperidine-2,6-dione
SMILESCc1oc2cc(C3CCC(=O)N(C)C3=O)ccc2c1C
InChIInChI=1S/C16H17NO3/c1-9-10(2)20-14-8-11(4-5-12(9)14)13-6-7-15(18)17(3)16(13)19/h4-5,8,13H,6-7H2,1-3H3
InChIKeySMALXZUHJMARIL-UHFFFAOYSA-N
XLogP2.91
TPSA50.52 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.32
LogP ≤ 52.91
H-Bond Donors ≤ 50
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 3-(2,3-dimethyl-1-benzofuran-6-yl)-1-methylpiperidine-2,6-dione?
The IUPAC name of 3-(2,3-dimethyl-1-benzofuran-6-yl)-1-methylpiperidine-2,6-dione (CID 23468838) is 3-(2,3-dimethyl-1-benzofuran-6-yl)-1-methylpiperidine-2,6-dione.
What is the SMILES notation for 3-(2,3-dimethyl-1-benzofuran-6-yl)-1-methylpiperidine-2,6-dione?
The canonical SMILES for 3-(2,3-dimethyl-1-benzofuran-6-yl)-1-methylpiperidine-2,6-dione is Cc1oc2cc(C3CCC(=O)N(C)C3=O)ccc2c1C.
What is the InChIKey of 3-(2,3-dimethyl-1-benzofuran-6-yl)-1-methylpiperidine-2,6-dione?
The InChIKey is SMALXZUHJMARIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17NO3/c1-9-10(2)20-14-8-11(4-5-12(9)14)13-6-7-15(18)17(3)16(13)19/h4-5,8,13H,6-7H2,1-3H3.
What are the key properties of 3-(2,3-dimethyl-1-benzofuran-6-yl)-1-methylpiperidine-2,6-dione?
3-(2,3-dimethyl-1-benzofuran-6-yl)-1-methylpiperidine-2,6-dione has a molecular weight of 271.32 g/mol, XLogP of 2.91, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,3-dimethyl-1-benzofuran-6-yl)-1-methylpiperidine-2,6-dione is sourced from PubChem (CID 23468838), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).