2-(4,6-dimethyl-1-benzofuran-3-yl)-1-pyrrolidin-1-ylethanone

C16H19NO2 — CID 2979244

IUPAC2-(4,6-dimethyl-1-benzofuran-3-yl)-1-pyrrolidin-1-ylethanone
SMILESCc1cc(C)c2c(CC(=O)N3CCCC3)coc2c1
InChIInChI=1S/C16H19NO2/c1-11-7-12(2)16-13(10-19-14(16)8-11)9-15(18)17-5-3-4-6-17/h7-8,10H,3-6,9H2,1-2H3
InChIKeyWUVMHMUKCMUPED-UHFFFAOYSA-N
MW257.33 g/mol
LogP3.21
Rot. Bonds2

About 2-(4,6-dimethyl-1-benzofuran-3-yl)-1-pyrrolidin-1-ylethanone

2-(4,6-dimethyl-1-benzofuran-3-yl)-1-pyrrolidin-1-ylethanone (PubChem CID 2979244) has the molecular formula C16H19NO2 and a molecular weight of 257.33 g/mol. Its IUPAC name is 2-(4,6-dimethyl-1-benzofuran-3-yl)-1-pyrrolidin-1-ylethanone.

Molecular Properties

Compound Name2-(4,6-dimethyl-1-benzofuran-3-yl)-1-pyrrolidin-1-ylethanone
PubChem CID2979244
Molecular FormulaC16H19NO2
Molecular Weight257.33 g/mol
Exact Mass257.14
IUPAC Name2-(4,6-dimethyl-1-benzofuran-3-yl)-1-pyrrolidin-1-ylethanone
SMILESCc1cc(C)c2c(CC(=O)N3CCCC3)coc2c1
InChIInChI=1S/C16H19NO2/c1-11-7-12(2)16-13(10-19-14(16)8-11)9-15(18)17-5-3-4-6-17/h7-8,10H,3-6,9H2,1-2H3
InChIKeyWUVMHMUKCMUPED-UHFFFAOYSA-N
XLogP3.21
TPSA33.45 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.33
LogP ≤ 53.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 2-(4,6-dimethyl-1-benzofuran-3-yl)-1-pyrrolidin-1-ylethanone 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 2-(4,6-dimethyl-1-benzofuran-3-yl)-1-pyrrolidin-1-ylethanone?
The IUPAC name of 2-(4,6-dimethyl-1-benzofuran-3-yl)-1-pyrrolidin-1-ylethanone (CID 2979244) is 2-(4,6-dimethyl-1-benzofuran-3-yl)-1-pyrrolidin-1-ylethanone.
What is the SMILES notation for 2-(4,6-dimethyl-1-benzofuran-3-yl)-1-pyrrolidin-1-ylethanone?
The canonical SMILES for 2-(4,6-dimethyl-1-benzofuran-3-yl)-1-pyrrolidin-1-ylethanone is Cc1cc(C)c2c(CC(=O)N3CCCC3)coc2c1.
What is the InChIKey of 2-(4,6-dimethyl-1-benzofuran-3-yl)-1-pyrrolidin-1-ylethanone?
The InChIKey is WUVMHMUKCMUPED-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19NO2/c1-11-7-12(2)16-13(10-19-14(16)8-11)9-15(18)17-5-3-4-6-17/h7-8,10H,3-6,9H2,1-2H3.
What are the key properties of 2-(4,6-dimethyl-1-benzofuran-3-yl)-1-pyrrolidin-1-ylethanone?
2-(4,6-dimethyl-1-benzofuran-3-yl)-1-pyrrolidin-1-ylethanone has a molecular weight of 257.33 g/mol, XLogP of 3.21, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4,6-dimethyl-1-benzofuran-3-yl)-1-pyrrolidin-1-ylethanone is sourced from PubChem (CID 2979244), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).