ethyl 3-(2-methyl-1-benzofuran-3-yl)-5-oxopyrrolidine-2-carboxylate

C16H17NO4 — CID 105360281

IUPACethyl 3-(2-methyl-1-benzofuran-3-yl)-5-oxopyrrolidine-2-carboxylate
SMILESCCOC(=O)C1NC(=O)CC1c1c(C)oc2ccccc12
InChIInChI=1S/C16H17NO4/c1-3-20-16(19)15-11(8-13(18)17-15)14-9(2)21-12-7-5-4-6-10(12)14/h4-7,11,15H,3,8H2,1-2H3,(H,17,18)
InChIKeyUORNTCVHGDRMGG-UHFFFAOYSA-N
MW287.32 g/mol
LogP2.28
Rot. Bonds3

About ethyl 3-(2-methyl-1-benzofuran-3-yl)-5-oxopyrrolidine-2-carboxylate

ethyl 3-(2-methyl-1-benzofuran-3-yl)-5-oxopyrrolidine-2-carboxylate (PubChem CID 105360281) has the molecular formula C16H17NO4 and a molecular weight of 287.32 g/mol. Its IUPAC name is ethyl 3-(2-methyl-1-benzofuran-3-yl)-5-oxopyrrolidine-2-carboxylate.

Molecular Properties

Compound Nameethyl 3-(2-methyl-1-benzofuran-3-yl)-5-oxopyrrolidine-2-carboxylate
PubChem CID105360281
Molecular FormulaC16H17NO4
Molecular Weight287.32 g/mol
Exact Mass287.12
IUPAC Nameethyl 3-(2-methyl-1-benzofuran-3-yl)-5-oxopyrrolidine-2-carboxylate
SMILESCCOC(=O)C1NC(=O)CC1c1c(C)oc2ccccc12
InChIInChI=1S/C16H17NO4/c1-3-20-16(19)15-11(8-13(18)17-15)14-9(2)21-12-7-5-4-6-10(12)14/h4-7,11,15H,3,8H2,1-2H3,(H,17,18)
InChIKeyUORNTCVHGDRMGG-UHFFFAOYSA-N
XLogP2.28
TPSA68.54 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.32
LogP ≤ 52.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze ethyl 3-(2-methyl-1-benzofuran-3-yl)-5-oxopyrrolidine-2-carboxylate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

ethyl 3-naphthalen-1-yl-5-oxopyrrolidine-2-carboxylate
CID 105360130
ethyl 3-(4-ethylphenyl)-5-oxopyrrolidine-2-carboxylate
CID 105360333
ethyl 3-(4-chlorophenyl)-5-oxopyrrolidine-2-carboxylate
CID 78120546
ethyl 3-(3-chlorophenyl)-5-oxopyrrolidine-2-carboxylate
CID 105360299
ethyl 3-(3-methoxyphenyl)-5-oxopyrrolidine-2-carboxylate
CID 105360187
ethyl 3-[3-(methoxymethyl)phenyl]-5-oxopyrrolidine-2-carboxylate
CID 105360312
diethyl 5-oxopyrrolidine-2,3-dicarboxylate
CID 45272996
ethyl 3-(3-chloro-5-fluorophenyl)-5-oxopyrrolidine-2-carboxylate
CID 105360365
ethyl 3-piperidin-4-yloxy-1-benzofuran-2-carboxylate
CID 57229796
CID 159251036
CID 159251036
2-(2-methyl-1-benzofuran-3-yl)azepan-1-amine
CID 82385581
diethyl 5-oxo-1,2-dihydrochromeno[4,3-b]pyridine-2,3-dicarboxylate
CID 102406664

Frequently Asked Questions

What is the IUPAC name of ethyl 3-(2-methyl-1-benzofuran-3-yl)-5-oxopyrrolidine-2-carboxylate?
The IUPAC name of ethyl 3-(2-methyl-1-benzofuran-3-yl)-5-oxopyrrolidine-2-carboxylate (CID 105360281) is ethyl 3-(2-methyl-1-benzofuran-3-yl)-5-oxopyrrolidine-2-carboxylate.
What is the SMILES notation for ethyl 3-(2-methyl-1-benzofuran-3-yl)-5-oxopyrrolidine-2-carboxylate?
The canonical SMILES for ethyl 3-(2-methyl-1-benzofuran-3-yl)-5-oxopyrrolidine-2-carboxylate is CCOC(=O)C1NC(=O)CC1c1c(C)oc2ccccc12.
What is the InChIKey of ethyl 3-(2-methyl-1-benzofuran-3-yl)-5-oxopyrrolidine-2-carboxylate?
The InChIKey is UORNTCVHGDRMGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17NO4/c1-3-20-16(19)15-11(8-13(18)17-15)14-9(2)21-12-7-5-4-6-10(12)14/h4-7,11,15H,3,8H2,1-2H3,(H,17,18).
What are the key properties of ethyl 3-(2-methyl-1-benzofuran-3-yl)-5-oxopyrrolidine-2-carboxylate?
ethyl 3-(2-methyl-1-benzofuran-3-yl)-5-oxopyrrolidine-2-carboxylate has a molecular weight of 287.32 g/mol, XLogP of 2.28, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-(2-methyl-1-benzofuran-3-yl)-5-oxopyrrolidine-2-carboxylate is sourced from PubChem (CID 105360281), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).