2-methoxyethyl 6-(furan-2-yl)-3-methyl-4-oxo-1,5,6,7-tetrahydroindole-2-carboxylate

C17H19NO5 — CID 5307417

IUPAC2-methoxyethyl 6-(furan-2-yl)-3-methyl-4-oxo-1,5,6,7-tetrahydroindole-2-carboxylate
SMILESCOCCOC(=O)c1[nH]c2c(c1C)C(=O)CC(c1ccco1)C2
InChIInChI=1S/C17H19NO5/c1-10-15-12(18-16(10)17(20)23-7-6-21-2)8-11(9-13(15)19)14-4-3-5-22-14/h3-5,11,18H,6-9H2,1-2H3
InChIKeyVMXDNNPWSUQREK-UHFFFAOYSA-N
MW317.34 g/mol
LogP2.63
Rot. Bonds5

About 2-methoxyethyl 6-(furan-2-yl)-3-methyl-4-oxo-1,5,6,7-tetrahydroindole-2-carboxylate

2-methoxyethyl 6-(furan-2-yl)-3-methyl-4-oxo-1,5,6,7-tetrahydroindole-2-carboxylate (PubChem CID 5307417) has the molecular formula C17H19NO5 and a molecular weight of 317.34 g/mol. Its IUPAC name is 2-methoxyethyl 6-(furan-2-yl)-3-methyl-4-oxo-1,5,6,7-tetrahydroindole-2-carboxylate.

Molecular Properties

Compound Name2-methoxyethyl 6-(furan-2-yl)-3-methyl-4-oxo-1,5,6,7-tetrahydroindole-2-carboxylate
PubChem CID5307417
Molecular FormulaC17H19NO5
Molecular Weight317.34 g/mol
Exact Mass317.13
IUPAC Name2-methoxyethyl 6-(furan-2-yl)-3-methyl-4-oxo-1,5,6,7-tetrahydroindole-2-carboxylate
SMILESCOCCOC(=O)c1[nH]c2c(c1C)C(=O)CC(c1ccco1)C2
InChIInChI=1S/C17H19NO5/c1-10-15-12(18-16(10)17(20)23-7-6-21-2)8-11(9-13(15)19)14-4-3-5-22-14/h3-5,11,18H,6-9H2,1-2H3
InChIKeyVMXDNNPWSUQREK-UHFFFAOYSA-N
XLogP2.63
TPSA81.53 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.34
LogP ≤ 52.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 2-methoxyethyl 6-(furan-2-yl)-3-methyl-4-oxo-1,5,6,7-tetrahydroindole-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

CID 2992266
CID 2992266
CID 2429118
CID 2429118
CID 2964931
CID 2964931
CID 17285441
CID 17285441
CID 3260577
CID 3260577
CID 4274895
CID 4274895
CID 4429890
CID 4429890
CID 4575047
CID 4575047
CID 5214133
CID 5214133
CID 2986656
CID 2986656
CID 2997481
CID 2997481
CID 3162305
CID 3162305

Frequently Asked Questions

What is the IUPAC name of 2-methoxyethyl 6-(furan-2-yl)-3-methyl-4-oxo-1,5,6,7-tetrahydroindole-2-carboxylate?
The IUPAC name of 2-methoxyethyl 6-(furan-2-yl)-3-methyl-4-oxo-1,5,6,7-tetrahydroindole-2-carboxylate (CID 5307417) is 2-methoxyethyl 6-(furan-2-yl)-3-methyl-4-oxo-1,5,6,7-tetrahydroindole-2-carboxylate.
What is the SMILES notation for 2-methoxyethyl 6-(furan-2-yl)-3-methyl-4-oxo-1,5,6,7-tetrahydroindole-2-carboxylate?
The canonical SMILES for 2-methoxyethyl 6-(furan-2-yl)-3-methyl-4-oxo-1,5,6,7-tetrahydroindole-2-carboxylate is COCCOC(=O)c1[nH]c2c(c1C)C(=O)CC(c1ccco1)C2.
What is the InChIKey of 2-methoxyethyl 6-(furan-2-yl)-3-methyl-4-oxo-1,5,6,7-tetrahydroindole-2-carboxylate?
The InChIKey is VMXDNNPWSUQREK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19NO5/c1-10-15-12(18-16(10)17(20)23-7-6-21-2)8-11(9-13(15)19)14-4-3-5-22-14/h3-5,11,18H,6-9H2,1-2H3.
What are the key properties of 2-methoxyethyl 6-(furan-2-yl)-3-methyl-4-oxo-1,5,6,7-tetrahydroindole-2-carboxylate?
2-methoxyethyl 6-(furan-2-yl)-3-methyl-4-oxo-1,5,6,7-tetrahydroindole-2-carboxylate has a molecular weight of 317.34 g/mol, XLogP of 2.63, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxyethyl 6-(furan-2-yl)-3-methyl-4-oxo-1,5,6,7-tetrahydroindole-2-carboxylate is sourced from PubChem (CID 5307417), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).