4'-acetyl-1'-methylspiro[3,7-dihydro-2H-furo[2,3-g][1,4]benzodioxine-8,3'-indole]-2'-one

C20H17NO5 — CID 68597801

IUPAC4'-acetyl-1'-methylspiro[3,7-dihydro-2H-furo[2,3-g][1,4]benzodioxine-8,3'-indole]-2'-one
SMILESCC(=O)c1cccc2c1C1(COc3cc4c(cc31)OCCO4)C(=O)N2C
InChIInChI=1S/C20H17NO5/c1-11(22)12-4-3-5-14-18(12)20(19(23)21(14)2)10-26-15-9-17-16(8-13(15)20)24-6-7-25-17/h3-5,8-9H,6-7,10H2,1-2H3
InChIKeyADLSMZCIDJGKME-UHFFFAOYSA-N
MW351.36 g/mol
LogP2.32
Rot. Bonds1

About 4'-acetyl-1'-methylspiro[3,7-dihydro-2H-furo[2,3-g][1,4]benzodioxine-8,3'-indole]-2'-one

4'-acetyl-1'-methylspiro[3,7-dihydro-2H-furo[2,3-g][1,4]benzodioxine-8,3'-indole]-2'-one (PubChem CID 68597801) has the molecular formula C20H17NO5 and a molecular weight of 351.36 g/mol. Its IUPAC name is 4'-acetyl-1'-methylspiro[3,7-dihydro-2H-furo[2,3-g][1,4]benzodioxine-8,3'-indole]-2'-one.

Molecular Properties

Compound Name4'-acetyl-1'-methylspiro[3,7-dihydro-2H-furo[2,3-g][1,4]benzodioxine-8,3'-indole]-2'-one
PubChem CID68597801
Molecular FormulaC20H17NO5
Molecular Weight351.36 g/mol
Exact Mass351.11
IUPAC Name4'-acetyl-1'-methylspiro[3,7-dihydro-2H-furo[2,3-g][1,4]benzodioxine-8,3'-indole]-2'-one
SMILESCC(=O)c1cccc2c1C1(COc3cc4c(cc31)OCCO4)C(=O)N2C
InChIInChI=1S/C20H17NO5/c1-11(22)12-4-3-5-14-18(12)20(19(23)21(14)2)10-26-15-9-17-16(8-13(15)20)24-6-7-25-17/h3-5,8-9H,6-7,10H2,1-2H3
InChIKeyADLSMZCIDJGKME-UHFFFAOYSA-N
XLogP2.32
TPSA65.07 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.36
LogP ≤ 52.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 4'-acetyl-1'-methylspiro[3,7-dihydro-2H-furo[2,3-g][1,4]benzodioxine-8,3'-indole]-2'-one 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 4'-acetyl-1'-methylspiro[3,7-dihydro-2H-furo[2,3-g][1,4]benzodioxine-8,3'-indole]-2'-one?
The IUPAC name of 4'-acetyl-1'-methylspiro[3,7-dihydro-2H-furo[2,3-g][1,4]benzodioxine-8,3'-indole]-2'-one (CID 68597801) is 4'-acetyl-1'-methylspiro[3,7-dihydro-2H-furo[2,3-g][1,4]benzodioxine-8,3'-indole]-2'-one.
What is the SMILES notation for 4'-acetyl-1'-methylspiro[3,7-dihydro-2H-furo[2,3-g][1,4]benzodioxine-8,3'-indole]-2'-one?
The canonical SMILES for 4'-acetyl-1'-methylspiro[3,7-dihydro-2H-furo[2,3-g][1,4]benzodioxine-8,3'-indole]-2'-one is CC(=O)c1cccc2c1C1(COc3cc4c(cc31)OCCO4)C(=O)N2C.
What is the InChIKey of 4'-acetyl-1'-methylspiro[3,7-dihydro-2H-furo[2,3-g][1,4]benzodioxine-8,3'-indole]-2'-one?
The InChIKey is ADLSMZCIDJGKME-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17NO5/c1-11(22)12-4-3-5-14-18(12)20(19(23)21(14)2)10-26-15-9-17-16(8-13(15)20)24-6-7-25-17/h3-5,8-9H,6-7,10H2,1-2H3.
What are the key properties of 4'-acetyl-1'-methylspiro[3,7-dihydro-2H-furo[2,3-g][1,4]benzodioxine-8,3'-indole]-2'-one?
4'-acetyl-1'-methylspiro[3,7-dihydro-2H-furo[2,3-g][1,4]benzodioxine-8,3'-indole]-2'-one has a molecular weight of 351.36 g/mol, XLogP of 2.32, 1 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4'-acetyl-1'-methylspiro[3,7-dihydro-2H-furo[2,3-g][1,4]benzodioxine-8,3'-indole]-2'-one is sourced from PubChem (CID 68597801), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).