ethyl 1'-acetyl-2',4-dioxospiro[3,5,6,7-tetrahydro-1-benzofuran-2,3'-indole]-3-carboxylate

C20H19NO6 — CID 164682557

IUPACethyl 1'-acetyl-2',4-dioxospiro[3,5,6,7-tetrahydro-1-benzofuran-2,3'-indole]-3-carboxylate
SMILESCCOC(=O)C1C2=C(CCCC2=O)OC12C(=O)N(C(C)=O)c1ccccc12
InChIInChI=1S/C20H19NO6/c1-3-26-18(24)17-16-14(23)9-6-10-15(16)27-20(17)12-7-4-5-8-13(12)21(11(2)22)19(20)25/h4-5,7-8,17H,3,6,9-10H2,1-2H3
InChIKeyPGWUYBZCTOSYSM-UHFFFAOYSA-N
MW369.37 g/mol
LogP1.99
Rot. Bonds2

About ethyl 1'-acetyl-2',4-dioxospiro[3,5,6,7-tetrahydro-1-benzofuran-2,3'-indole]-3-carboxylate

ethyl 1'-acetyl-2',4-dioxospiro[3,5,6,7-tetrahydro-1-benzofuran-2,3'-indole]-3-carboxylate (PubChem CID 164682557) has the molecular formula C20H19NO6 and a molecular weight of 369.37 g/mol. Its IUPAC name is ethyl 1'-acetyl-2',4-dioxospiro[3,5,6,7-tetrahydro-1-benzofuran-2,3'-indole]-3-carboxylate.

Molecular Properties

Compound Nameethyl 1'-acetyl-2',4-dioxospiro[3,5,6,7-tetrahydro-1-benzofuran-2,3'-indole]-3-carboxylate
PubChem CID164682557
Molecular FormulaC20H19NO6
Molecular Weight369.37 g/mol
Exact Mass369.12
IUPAC Nameethyl 1'-acetyl-2',4-dioxospiro[3,5,6,7-tetrahydro-1-benzofuran-2,3'-indole]-3-carboxylate
SMILESCCOC(=O)C1C2=C(CCCC2=O)OC12C(=O)N(C(C)=O)c1ccccc12
InChIInChI=1S/C20H19NO6/c1-3-26-18(24)17-16-14(23)9-6-10-15(16)27-20(17)12-7-4-5-8-13(12)21(11(2)22)19(20)25/h4-5,7-8,17H,3,6,9-10H2,1-2H3
InChIKeyPGWUYBZCTOSYSM-UHFFFAOYSA-N
XLogP1.99
TPSA89.98 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.37
LogP ≤ 51.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of ethyl 1'-acetyl-2',4-dioxospiro[3,5,6,7-tetrahydro-1-benzofuran-2,3'-indole]-3-carboxylate?
The IUPAC name of ethyl 1'-acetyl-2',4-dioxospiro[3,5,6,7-tetrahydro-1-benzofuran-2,3'-indole]-3-carboxylate (CID 164682557) is ethyl 1'-acetyl-2',4-dioxospiro[3,5,6,7-tetrahydro-1-benzofuran-2,3'-indole]-3-carboxylate.
What is the SMILES notation for ethyl 1'-acetyl-2',4-dioxospiro[3,5,6,7-tetrahydro-1-benzofuran-2,3'-indole]-3-carboxylate?
The canonical SMILES for ethyl 1'-acetyl-2',4-dioxospiro[3,5,6,7-tetrahydro-1-benzofuran-2,3'-indole]-3-carboxylate is CCOC(=O)C1C2=C(CCCC2=O)OC12C(=O)N(C(C)=O)c1ccccc12.
What is the InChIKey of ethyl 1'-acetyl-2',4-dioxospiro[3,5,6,7-tetrahydro-1-benzofuran-2,3'-indole]-3-carboxylate?
The InChIKey is PGWUYBZCTOSYSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19NO6/c1-3-26-18(24)17-16-14(23)9-6-10-15(16)27-20(17)12-7-4-5-8-13(12)21(11(2)22)19(20)25/h4-5,7-8,17H,3,6,9-10H2,1-2H3.
What are the key properties of ethyl 1'-acetyl-2',4-dioxospiro[3,5,6,7-tetrahydro-1-benzofuran-2,3'-indole]-3-carboxylate?
ethyl 1'-acetyl-2',4-dioxospiro[3,5,6,7-tetrahydro-1-benzofuran-2,3'-indole]-3-carboxylate has a molecular weight of 369.37 g/mol, XLogP of 1.99, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 1'-acetyl-2',4-dioxospiro[3,5,6,7-tetrahydro-1-benzofuran-2,3'-indole]-3-carboxylate is sourced from PubChem (CID 164682557), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).