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

C21H21NO4 — CID 160500443

IUPAC4-tert-butylspiro[1H-indole-3,8'-3,7-dihydro-2H-furo[2,3-g][1,4]benzodioxine]-2-one
SMILESCC(C)(C)c1cccc2c1C1(COc3cc4c(cc31)OCCO4)C(=O)N2
InChIInChI=1S/C21H21NO4/c1-20(2,3)12-5-4-6-14-18(12)21(19(23)22-14)11-26-15-10-17-16(9-13(15)21)24-7-8-25-17/h4-6,9-10H,7-8,11H2,1-3H3,(H,22,23)
InChIKeyQRSFBOPNACSORT-UHFFFAOYSA-N
MW351.40 g/mol
LogP3.39
Rot. Bonds

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

4-tert-butylspiro[1H-indole-3,8'-3,7-dihydro-2H-furo[2,3-g][1,4]benzodioxine]-2-one (PubChem CID 160500443) has the molecular formula C21H21NO4 and a molecular weight of 351.40 g/mol. Its IUPAC name is 4-tert-butylspiro[1H-indole-3,8'-3,7-dihydro-2H-furo[2,3-g][1,4]benzodioxine]-2-one.

Molecular Properties

Compound Name4-tert-butylspiro[1H-indole-3,8'-3,7-dihydro-2H-furo[2,3-g][1,4]benzodioxine]-2-one
PubChem CID160500443
Molecular FormulaC21H21NO4
Molecular Weight351.40 g/mol
Exact Mass351.15
IUPAC Name4-tert-butylspiro[1H-indole-3,8'-3,7-dihydro-2H-furo[2,3-g][1,4]benzodioxine]-2-one
SMILESCC(C)(C)c1cccc2c1C1(COc3cc4c(cc31)OCCO4)C(=O)N2
InChIInChI=1S/C21H21NO4/c1-20(2,3)12-5-4-6-14-18(12)21(19(23)22-14)11-26-15-10-17-16(9-13(15)21)24-7-8-25-17/h4-6,9-10H,7-8,11H2,1-3H3,(H,22,23)
InChIKeyQRSFBOPNACSORT-UHFFFAOYSA-N
XLogP3.39
TPSA56.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.40
LogP ≤ 53.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 4-tert-butylspiro[1H-indole-3,8'-3,7-dihydro-2H-furo[2,3-g][1,4]benzodioxine]-2-one with MolForge

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Related Compounds

spiro[1H-indole-3,9'-2,3,7,8-tetrahydropyrano[2,3-g][1,4]benzodioxine]-2-one
CID 123384679
spiro[1H-indole-3,3'-5,6-dihydro-2H-furo[3,2-f][1]benzofuran]-2-one
CID 59263354
4-[6-(dimethylamino)-3-pyridinyl]spiro[1H-indole-3,7'-6H-furo[2,3-f][1,3]benzodioxole]-2-one
CID 59352148
5'-methylspiro[1H-indole-3,8'-3,7-dihydro-2H-furo[2,3-g][1,4]benzodioxine]-2-one
CID 129051616
4-fluoro-7-methylspiro[1H-indole-3,3'-5,6-dihydro-2H-furo[3,2-f][1]benzofuran]-2-one
CID 59352131
4'-acetyl-1'-methylspiro[3,7-dihydro-2H-furo[2,3-g][1,4]benzodioxine-8,3'-indole]-2'-one
CID 68597801
spiro[1H-indole-3,3'-2,7-dihydrofuro[3,2-g]chromene]-2-one
CID 67356579
1,4-dioxane;(8R)-1'-methylspiro[3,7-dihydro-2H-furo[2,3-g][1,4]benzodioxine-8,3'-indole]-2'-one
CID 143977132
5-fluorospiro[1H-indole-3,3'-5,6-dihydro-2H-furo[3,2-f][1]benzofuran]-2-one
CID 59352505
spiro[1H-indole-3,3'-2,5-dihydrofuro[3,2-g]chromene]-2-one
CID 67356581
4'-(4-fluorophenoxy)-1'-methylspiro[3,7-dihydro-2H-furo[2,3-g][1,4]benzodioxine-8,3'-indole]-2'-one
CID 46194574
N-(1'-methyl-2'-oxospiro[3,7-dihydro-2H-furo[2,3-g][1,4]benzodioxine-8,3'-indole]-4'-yl)cyclopentanecarboxamide
CID 59352702

Frequently Asked Questions

What is the IUPAC name of 4-tert-butylspiro[1H-indole-3,8'-3,7-dihydro-2H-furo[2,3-g][1,4]benzodioxine]-2-one?
The IUPAC name of 4-tert-butylspiro[1H-indole-3,8'-3,7-dihydro-2H-furo[2,3-g][1,4]benzodioxine]-2-one (CID 160500443) is 4-tert-butylspiro[1H-indole-3,8'-3,7-dihydro-2H-furo[2,3-g][1,4]benzodioxine]-2-one.
What is the SMILES notation for 4-tert-butylspiro[1H-indole-3,8'-3,7-dihydro-2H-furo[2,3-g][1,4]benzodioxine]-2-one?
The canonical SMILES for 4-tert-butylspiro[1H-indole-3,8'-3,7-dihydro-2H-furo[2,3-g][1,4]benzodioxine]-2-one is CC(C)(C)c1cccc2c1C1(COc3cc4c(cc31)OCCO4)C(=O)N2.
What is the InChIKey of 4-tert-butylspiro[1H-indole-3,8'-3,7-dihydro-2H-furo[2,3-g][1,4]benzodioxine]-2-one?
The InChIKey is QRSFBOPNACSORT-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21NO4/c1-20(2,3)12-5-4-6-14-18(12)21(19(23)22-14)11-26-15-10-17-16(9-13(15)21)24-7-8-25-17/h4-6,9-10H,7-8,11H2,1-3H3,(H,22,23).
What are the key properties of 4-tert-butylspiro[1H-indole-3,8'-3,7-dihydro-2H-furo[2,3-g][1,4]benzodioxine]-2-one?
4-tert-butylspiro[1H-indole-3,8'-3,7-dihydro-2H-furo[2,3-g][1,4]benzodioxine]-2-one has a molecular weight of 351.40 g/mol, XLogP of 3.39, 0 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-tert-butylspiro[1H-indole-3,8'-3,7-dihydro-2H-furo[2,3-g][1,4]benzodioxine]-2-one is sourced from PubChem (CID 160500443), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).