1-[2-(1-benzofuran-2-yl)-2-hydroxyethyl]-3,4-dimethylpyrrolidine-2,5-dione

C16H17NO4 — CID 79179188

IUPAC1-[2-(1-benzofuran-2-yl)-2-hydroxyethyl]-3,4-dimethylpyrrolidine-2,5-dione
SMILESCC1C(=O)N(CC(O)c2cc3ccccc3o2)C(=O)C1C
InChIInChI=1S/C16H17NO4/c1-9-10(2)16(20)17(15(9)19)8-12(18)14-7-11-5-3-4-6-13(11)21-14/h3-7,9-10,12,18H,8H2,1-2H3
InChIKeyGFSZNDDYOHRFMZ-UHFFFAOYSA-N
MW287.31 g/mol
LogP2.11
Rot. Bonds3

About 1-[2-(1-benzofuran-2-yl)-2-hydroxyethyl]-3,4-dimethylpyrrolidine-2,5-dione

1-[2-(1-benzofuran-2-yl)-2-hydroxyethyl]-3,4-dimethylpyrrolidine-2,5-dione (PubChem CID 79179188) has the molecular formula C16H17NO4 and a molecular weight of 287.31 g/mol. Its IUPAC name is 1-[2-(1-benzofuran-2-yl)-2-hydroxyethyl]-3,4-dimethylpyrrolidine-2,5-dione.

Molecular Properties

Compound Name1-[2-(1-benzofuran-2-yl)-2-hydroxyethyl]-3,4-dimethylpyrrolidine-2,5-dione
PubChem CID79179188
Molecular FormulaC16H17NO4
Molecular Weight287.31 g/mol
Exact Mass287.12
IUPAC Name1-[2-(1-benzofuran-2-yl)-2-hydroxyethyl]-3,4-dimethylpyrrolidine-2,5-dione
SMILESCC1C(=O)N(CC(O)c2cc3ccccc3o2)C(=O)C1C
InChIInChI=1S/C16H17NO4/c1-9-10(2)16(20)17(15(9)19)8-12(18)14-7-11-5-3-4-6-13(11)21-14/h3-7,9-10,12,18H,8H2,1-2H3
InChIKeyGFSZNDDYOHRFMZ-UHFFFAOYSA-N
XLogP2.11
TPSA70.75 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.31
LogP ≤ 52.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1-[2-(1-benzofuran-2-yl)-2-hydroxyethyl]-3-methylpyridin-2-one
CID 63172618
(1R)-2-[(3aR,6aS)-2,2-dioxo-1,3,3a,4,6,6a-hexahydrothieno[3,4-c]pyrrol-5-yl]-1-(1-benzofuran-2-yl)ethanol
CID 136585973
1-(1-benzofuran-2-yl)-2-(2,3-dimethylpiperidin-1-yl)ethanol
CID 62123428
1-(1-benzofuran-2-yl)-2-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)ethanol
CID 66372336
4-[2-(1-benzofuran-2-yl)-2-hydroxyethyl]morpholin-3-one
CID 79468551
(1R)-1-(1-benzofuran-2-yl)butane-1,4-diol
CID 124681415
1-(1-benzofuran-2-yl)heptan-1-ol
CID 63089894
1-[2-(3-chlorophenyl)-2-hydroxyethyl]-3,4-dimethylpyrrolidine-2,5-dione
CID 111969239
1-(1-benzofuran-2-yl)-2-(2-methylphenyl)ethanol
CID 63017903
1-(1-benzofuran-2-yl)-3-phenylbutan-1-ol
CID 114723712
(1R)-2-(1-azaspiro[3.3]heptan-1-yl)-1-(1-benzofuran-2-yl)ethanol
CID 154795462
1-(1-benzofuran-2-yl)-4,4,4-trifluorobutan-1-ol
CID 64566757

Frequently Asked Questions

What is the IUPAC name of 1-[2-(1-benzofuran-2-yl)-2-hydroxyethyl]-3,4-dimethylpyrrolidine-2,5-dione?
The IUPAC name of 1-[2-(1-benzofuran-2-yl)-2-hydroxyethyl]-3,4-dimethylpyrrolidine-2,5-dione (CID 79179188) is 1-[2-(1-benzofuran-2-yl)-2-hydroxyethyl]-3,4-dimethylpyrrolidine-2,5-dione.
What is the SMILES notation for 1-[2-(1-benzofuran-2-yl)-2-hydroxyethyl]-3,4-dimethylpyrrolidine-2,5-dione?
The canonical SMILES for 1-[2-(1-benzofuran-2-yl)-2-hydroxyethyl]-3,4-dimethylpyrrolidine-2,5-dione is CC1C(=O)N(CC(O)c2cc3ccccc3o2)C(=O)C1C.
What is the InChIKey of 1-[2-(1-benzofuran-2-yl)-2-hydroxyethyl]-3,4-dimethylpyrrolidine-2,5-dione?
The InChIKey is GFSZNDDYOHRFMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17NO4/c1-9-10(2)16(20)17(15(9)19)8-12(18)14-7-11-5-3-4-6-13(11)21-14/h3-7,9-10,12,18H,8H2,1-2H3.
What are the key properties of 1-[2-(1-benzofuran-2-yl)-2-hydroxyethyl]-3,4-dimethylpyrrolidine-2,5-dione?
1-[2-(1-benzofuran-2-yl)-2-hydroxyethyl]-3,4-dimethylpyrrolidine-2,5-dione has a molecular weight of 287.31 g/mol, XLogP of 2.11, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(1-benzofuran-2-yl)-2-hydroxyethyl]-3,4-dimethylpyrrolidine-2,5-dione is sourced from PubChem (CID 79179188), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).