4-amino-5-(2,2-dimethyl-3H-1-benzofuran-7-yl)-1-methylpyrrolidin-2-one

C15H20N2O2 — CID 64507923

IUPAC4-amino-5-(2,2-dimethyl-3H-1-benzofuran-7-yl)-1-methylpyrrolidin-2-one
SMILESCN1C(=O)CC(N)C1c1cccc2c1OC(C)(C)C2
InChIInChI=1S/C15H20N2O2/c1-15(2)8-9-5-4-6-10(14(9)19-15)13-11(16)7-12(18)17(13)3/h4-6,11,13H,7-8,16H2,1-3H3
InChIKeyLZTTZNMWRKDJPL-UHFFFAOYSA-N
MW260.34 g/mol
LogP1.63
Rot. Bonds1

About 4-amino-5-(2,2-dimethyl-3H-1-benzofuran-7-yl)-1-methylpyrrolidin-2-one

4-amino-5-(2,2-dimethyl-3H-1-benzofuran-7-yl)-1-methylpyrrolidin-2-one (PubChem CID 64507923) has the molecular formula C15H20N2O2 and a molecular weight of 260.34 g/mol. Its IUPAC name is 4-amino-5-(2,2-dimethyl-3H-1-benzofuran-7-yl)-1-methylpyrrolidin-2-one.

Molecular Properties

Compound Name4-amino-5-(2,2-dimethyl-3H-1-benzofuran-7-yl)-1-methylpyrrolidin-2-one
PubChem CID64507923
Molecular FormulaC15H20N2O2
Molecular Weight260.34 g/mol
Exact Mass260.15
IUPAC Name4-amino-5-(2,2-dimethyl-3H-1-benzofuran-7-yl)-1-methylpyrrolidin-2-one
SMILESCN1C(=O)CC(N)C1c1cccc2c1OC(C)(C)C2
InChIInChI=1S/C15H20N2O2/c1-15(2)8-9-5-4-6-10(14(9)19-15)13-11(16)7-12(18)17(13)3/h4-6,11,13H,7-8,16H2,1-3H3
InChIKeyLZTTZNMWRKDJPL-UHFFFAOYSA-N
XLogP1.63
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.34
LogP ≤ 51.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-amino-5-(2,2-dimethyl-3H-1-benzofuran-7-yl)-1-methylpyrrolidin-2-one?
The IUPAC name of 4-amino-5-(2,2-dimethyl-3H-1-benzofuran-7-yl)-1-methylpyrrolidin-2-one (CID 64507923) is 4-amino-5-(2,2-dimethyl-3H-1-benzofuran-7-yl)-1-methylpyrrolidin-2-one.
What is the SMILES notation for 4-amino-5-(2,2-dimethyl-3H-1-benzofuran-7-yl)-1-methylpyrrolidin-2-one?
The canonical SMILES for 4-amino-5-(2,2-dimethyl-3H-1-benzofuran-7-yl)-1-methylpyrrolidin-2-one is CN1C(=O)CC(N)C1c1cccc2c1OC(C)(C)C2.
What is the InChIKey of 4-amino-5-(2,2-dimethyl-3H-1-benzofuran-7-yl)-1-methylpyrrolidin-2-one?
The InChIKey is LZTTZNMWRKDJPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O2/c1-15(2)8-9-5-4-6-10(14(9)19-15)13-11(16)7-12(18)17(13)3/h4-6,11,13H,7-8,16H2,1-3H3.
What are the key properties of 4-amino-5-(2,2-dimethyl-3H-1-benzofuran-7-yl)-1-methylpyrrolidin-2-one?
4-amino-5-(2,2-dimethyl-3H-1-benzofuran-7-yl)-1-methylpyrrolidin-2-one has a molecular weight of 260.34 g/mol, XLogP of 1.63, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-5-(2,2-dimethyl-3H-1-benzofuran-7-yl)-1-methylpyrrolidin-2-one is sourced from PubChem (CID 64507923), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).