ethyl 5-(furan-2-carbonyloxy)-1,2-dimethylindole-3-carboxylate

C18H17NO5 — CID 917257

IUPACethyl 5-(furan-2-carbonyloxy)-1,2-dimethylindole-3-carboxylate
SMILESCCOC(=O)c1c(C)n(C)c2ccc(OC(=O)c3ccco3)cc12
InChIInChI=1S/C18H17NO5/c1-4-22-18(21)16-11(2)19(3)14-8-7-12(10-13(14)16)24-17(20)15-6-5-9-23-15/h5-10H,4H2,1-3H3
InChIKeyOPKTZXIDVOFXRV-UHFFFAOYSA-N
MW327.34 g/mol
LogP3.48
Rot. Bonds4

About ethyl 5-(furan-2-carbonyloxy)-1,2-dimethylindole-3-carboxylate

ethyl 5-(furan-2-carbonyloxy)-1,2-dimethylindole-3-carboxylate (PubChem CID 917257) has the molecular formula C18H17NO5 and a molecular weight of 327.34 g/mol. Its IUPAC name is ethyl 5-(furan-2-carbonyloxy)-1,2-dimethylindole-3-carboxylate.

Molecular Properties

Compound Nameethyl 5-(furan-2-carbonyloxy)-1,2-dimethylindole-3-carboxylate
PubChem CID917257
Molecular FormulaC18H17NO5
Molecular Weight327.34 g/mol
Exact Mass327.11
IUPAC Nameethyl 5-(furan-2-carbonyloxy)-1,2-dimethylindole-3-carboxylate
SMILESCCOC(=O)c1c(C)n(C)c2ccc(OC(=O)c3ccco3)cc12
InChIInChI=1S/C18H17NO5/c1-4-22-18(21)16-11(2)19(3)14-8-7-12(10-13(14)16)24-17(20)15-6-5-9-23-15/h5-10H,4H2,1-3H3
InChIKeyOPKTZXIDVOFXRV-UHFFFAOYSA-N
XLogP3.48
TPSA70.67 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.34
LogP ≤ 53.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze ethyl 5-(furan-2-carbonyloxy)-1,2-dimethylindole-3-carboxylate 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 ethyl 5-(furan-2-carbonyloxy)-1,2-dimethylindole-3-carboxylate?
The IUPAC name of ethyl 5-(furan-2-carbonyloxy)-1,2-dimethylindole-3-carboxylate (CID 917257) is ethyl 5-(furan-2-carbonyloxy)-1,2-dimethylindole-3-carboxylate.
What is the SMILES notation for ethyl 5-(furan-2-carbonyloxy)-1,2-dimethylindole-3-carboxylate?
The canonical SMILES for ethyl 5-(furan-2-carbonyloxy)-1,2-dimethylindole-3-carboxylate is CCOC(=O)c1c(C)n(C)c2ccc(OC(=O)c3ccco3)cc12.
What is the InChIKey of ethyl 5-(furan-2-carbonyloxy)-1,2-dimethylindole-3-carboxylate?
The InChIKey is OPKTZXIDVOFXRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17NO5/c1-4-22-18(21)16-11(2)19(3)14-8-7-12(10-13(14)16)24-17(20)15-6-5-9-23-15/h5-10H,4H2,1-3H3.
What are the key properties of ethyl 5-(furan-2-carbonyloxy)-1,2-dimethylindole-3-carboxylate?
ethyl 5-(furan-2-carbonyloxy)-1,2-dimethylindole-3-carboxylate has a molecular weight of 327.34 g/mol, XLogP of 3.48, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 5-(furan-2-carbonyloxy)-1,2-dimethylindole-3-carboxylate is sourced from PubChem (CID 917257), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).