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

C18H17NO5 — CID 164682566

IUPACethyl 2,4'-dioxospiro[1H-indole-3,2'-3,5,6,7-tetrahydro-1-benzofuran]-3'-carboxylate
SMILESCCOC(=O)C1C2=C(CCCC2=O)OC12C(=O)Nc1ccccc12
InChIInChI=1S/C18H17NO5/c1-2-23-16(21)15-14-12(20)8-5-9-13(14)24-18(15)10-6-3-4-7-11(10)19-17(18)22/h3-4,6-7,15H,2,5,8-9H2,1H3,(H,19,22)
InChIKeyQUWXVXNLMZUBIW-UHFFFAOYSA-N
MW327.34 g/mol
LogP2.05
Rot. Bonds2

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

ethyl 2,4'-dioxospiro[1H-indole-3,2'-3,5,6,7-tetrahydro-1-benzofuran]-3'-carboxylate (PubChem CID 164682566) has the molecular formula C18H17NO5 and a molecular weight of 327.34 g/mol. Its IUPAC name is ethyl 2,4'-dioxospiro[1H-indole-3,2'-3,5,6,7-tetrahydro-1-benzofuran]-3'-carboxylate.

Molecular Properties

Compound Nameethyl 2,4'-dioxospiro[1H-indole-3,2'-3,5,6,7-tetrahydro-1-benzofuran]-3'-carboxylate
PubChem CID164682566
Molecular FormulaC18H17NO5
Molecular Weight327.34 g/mol
Exact Mass327.11
IUPAC Nameethyl 2,4'-dioxospiro[1H-indole-3,2'-3,5,6,7-tetrahydro-1-benzofuran]-3'-carboxylate
SMILESCCOC(=O)C1C2=C(CCCC2=O)OC12C(=O)Nc1ccccc12
InChIInChI=1S/C18H17NO5/c1-2-23-16(21)15-14-12(20)8-5-9-13(14)24-18(15)10-6-3-4-7-11(10)19-17(18)22/h3-4,6-7,15H,2,5,8-9H2,1H3,(H,19,22)
InChIKeyQUWXVXNLMZUBIW-UHFFFAOYSA-N
XLogP2.05
TPSA81.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.34
LogP ≤ 52.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze ethyl 2,4'-dioxospiro[1H-indole-3,2'-3,5,6,7-tetrahydro-1-benzofuran]-3'-carboxylate with MolForge

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Frequently Asked Questions

What is the IUPAC name of ethyl 2,4'-dioxospiro[1H-indole-3,2'-3,5,6,7-tetrahydro-1-benzofuran]-3'-carboxylate?
The IUPAC name of ethyl 2,4'-dioxospiro[1H-indole-3,2'-3,5,6,7-tetrahydro-1-benzofuran]-3'-carboxylate (CID 164682566) is ethyl 2,4'-dioxospiro[1H-indole-3,2'-3,5,6,7-tetrahydro-1-benzofuran]-3'-carboxylate.
What is the SMILES notation for ethyl 2,4'-dioxospiro[1H-indole-3,2'-3,5,6,7-tetrahydro-1-benzofuran]-3'-carboxylate?
The canonical SMILES for ethyl 2,4'-dioxospiro[1H-indole-3,2'-3,5,6,7-tetrahydro-1-benzofuran]-3'-carboxylate is CCOC(=O)C1C2=C(CCCC2=O)OC12C(=O)Nc1ccccc12.
What is the InChIKey of ethyl 2,4'-dioxospiro[1H-indole-3,2'-3,5,6,7-tetrahydro-1-benzofuran]-3'-carboxylate?
The InChIKey is QUWXVXNLMZUBIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17NO5/c1-2-23-16(21)15-14-12(20)8-5-9-13(14)24-18(15)10-6-3-4-7-11(10)19-17(18)22/h3-4,6-7,15H,2,5,8-9H2,1H3,(H,19,22).
What are the key properties of ethyl 2,4'-dioxospiro[1H-indole-3,2'-3,5,6,7-tetrahydro-1-benzofuran]-3'-carboxylate?
ethyl 2,4'-dioxospiro[1H-indole-3,2'-3,5,6,7-tetrahydro-1-benzofuran]-3'-carboxylate has a molecular weight of 327.34 g/mol, XLogP of 2.05, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2,4'-dioxospiro[1H-indole-3,2'-3,5,6,7-tetrahydro-1-benzofuran]-3'-carboxylate is sourced from PubChem (CID 164682566), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).