1,4-dioxane;(8R)-1'-methylspiro[3,7-dihydro-2H-furo[2,3-g][1,4]benzodioxine-8,3'-indole]-2'-one

C22H23NO6 — CID 143977132

IUPAC1,4-dioxane;(8R)-1'-methylspiro[3,7-dihydro-2H-furo[2,3-g][1,4]benzodioxine-8,3'-indole]-2'-one
SMILESC1COCCO1.CN1C(=O)[C@]2(COc3cc4c(cc32)OCCO4)c2ccccc21
InChIInChI=1S/C18H15NO4.C4H8O2/c1-19-13-5-3-2-4-11(13)18(17(19)20)10-23-14-9-16-15(8-12(14)18)21-6-7-22-16;1-2-6-4-3-5-1/h2-5,8-9H,6-7,10H2,1H3;1-4H2/t18-;/m1./s1
InChIKeyMNTMKUQVHKUXJB-GMUIIQOCSA-N
MW397.43 g/mol
LogP2.15
Rot. Bonds

About 1,4-dioxane;(8R)-1'-methylspiro[3,7-dihydro-2H-furo[2,3-g][1,4]benzodioxine-8,3'-indole]-2'-one

1,4-dioxane;(8R)-1'-methylspiro[3,7-dihydro-2H-furo[2,3-g][1,4]benzodioxine-8,3'-indole]-2'-one (PubChem CID 143977132) has the molecular formula C22H23NO6 and a molecular weight of 397.43 g/mol. Its IUPAC name is 1,4-dioxane;(8R)-1'-methylspiro[3,7-dihydro-2H-furo[2,3-g][1,4]benzodioxine-8,3'-indole]-2'-one.

Molecular Properties

Compound Name1,4-dioxane;(8R)-1'-methylspiro[3,7-dihydro-2H-furo[2,3-g][1,4]benzodioxine-8,3'-indole]-2'-one
PubChem CID143977132
Molecular FormulaC22H23NO6
Molecular Weight397.43 g/mol
Exact Mass397.15
IUPAC Name1,4-dioxane;(8R)-1'-methylspiro[3,7-dihydro-2H-furo[2,3-g][1,4]benzodioxine-8,3'-indole]-2'-one
SMILESC1COCCO1.CN1C(=O)[C@]2(COc3cc4c(cc32)OCCO4)c2ccccc21
InChIInChI=1S/C18H15NO4.C4H8O2/c1-19-13-5-3-2-4-11(13)18(17(19)20)10-23-14-9-16-15(8-12(14)18)21-6-7-22-16;1-2-6-4-3-5-1/h2-5,8-9H,6-7,10H2,1H3;1-4H2/t18-;/m1./s1
InChIKeyMNTMKUQVHKUXJB-GMUIIQOCSA-N
XLogP2.15
TPSA66.46 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.43
LogP ≤ 52.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

4'-acetyl-1'-methylspiro[3,7-dihydro-2H-furo[2,3-g][1,4]benzodioxine-8,3'-indole]-2'-one
CID 68597801
(8S)-1'-(pyrimidin-2-ylmethyl)spiro[3,7-dihydro-2H-furo[2,3-g][1,4]benzodioxine-8,3'-indole]-2'-one
CID 59352095
4'-(4-fluorophenoxy)-1'-methylspiro[3,7-dihydro-2H-furo[2,3-g][1,4]benzodioxine-8,3'-indole]-2'-one
CID 46194574
1'-[(3,5-dimethoxyphenyl)methyl]spiro[3,7-dihydro-2H-furo[2,3-g][1,4]benzodioxine-8,3'-indole]-2'-one
CID 59352709
4'-(3-methoxyphenoxy)-1'-methylspiro[3,7-dihydro-2H-furo[2,3-g][1,4]benzodioxine-8,3'-indole]-2'-one
CID 59352567
1'-methyl-4'-(pyridin-2-ylmethoxy)spiro[3,7-dihydro-2H-furo[2,3-g][1,4]benzodioxine-8,3'-indole]-2'-one
CID 59352703
N-(1'-methyl-2'-oxospiro[3,7-dihydro-2H-furo[2,3-g][1,4]benzodioxine-8,3'-indole]-4'-yl)cyclopentanecarboxamide
CID 59352702
(8S)-1'-[(3-methyl-2-pyridinyl)methyl]spiro[3,7-dihydro-2H-furo[2,3-g][1,4]benzodioxine-8,3'-indole]-2'-one
CID 58224165
1'-[(2-fluoro-6-methylphenyl)methyl]spiro[3,7-dihydro-2H-furo[2,3-g][1,4]benzodioxine-8,3'-indole]-2'-one
CID 71036140
1'-methyl-2'-oxospiro[5,6-dihydro-2H-furo[3,2-f][1]benzofuran-3,3'-indole]-4'-carbaldehyde;oxolane
CID 143977057
1'-methyl-2'-oxospiro[3,7-dihydro-2H-furo[2,3-g][1,4]benzodioxine-8,3'-indole]-4'-carbaldehyde;N-methyl-1-pyridin-2-ylmethanamine
CID 143977173
1'-(trifluoromethyl)spiro[6H-furo[2,3-f][1,3]benzodioxole-7,3'-indole]-2'-one
CID 68599447

Frequently Asked Questions

What is the IUPAC name of 1,4-dioxane;(8R)-1'-methylspiro[3,7-dihydro-2H-furo[2,3-g][1,4]benzodioxine-8,3'-indole]-2'-one?
The IUPAC name of 1,4-dioxane;(8R)-1'-methylspiro[3,7-dihydro-2H-furo[2,3-g][1,4]benzodioxine-8,3'-indole]-2'-one (CID 143977132) is 1,4-dioxane;(8R)-1'-methylspiro[3,7-dihydro-2H-furo[2,3-g][1,4]benzodioxine-8,3'-indole]-2'-one.
What is the SMILES notation for 1,4-dioxane;(8R)-1'-methylspiro[3,7-dihydro-2H-furo[2,3-g][1,4]benzodioxine-8,3'-indole]-2'-one?
The canonical SMILES for 1,4-dioxane;(8R)-1'-methylspiro[3,7-dihydro-2H-furo[2,3-g][1,4]benzodioxine-8,3'-indole]-2'-one is C1COCCO1.CN1C(=O)[C@]2(COc3cc4c(cc32)OCCO4)c2ccccc21.
What is the InChIKey of 1,4-dioxane;(8R)-1'-methylspiro[3,7-dihydro-2H-furo[2,3-g][1,4]benzodioxine-8,3'-indole]-2'-one?
The InChIKey is MNTMKUQVHKUXJB-GMUIIQOCSA-N. The full InChI is InChI=1S/C18H15NO4.C4H8O2/c1-19-13-5-3-2-4-11(13)18(17(19)20)10-23-14-9-16-15(8-12(14)18)21-6-7-22-16;1-2-6-4-3-5-1/h2-5,8-9H,6-7,10H2,1H3;1-4H2/t18-;/m1./s1.
What are the key properties of 1,4-dioxane;(8R)-1'-methylspiro[3,7-dihydro-2H-furo[2,3-g][1,4]benzodioxine-8,3'-indole]-2'-one?
1,4-dioxane;(8R)-1'-methylspiro[3,7-dihydro-2H-furo[2,3-g][1,4]benzodioxine-8,3'-indole]-2'-one has a molecular weight of 397.43 g/mol, XLogP of 2.15, 0 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1,4-dioxane;(8R)-1'-methylspiro[3,7-dihydro-2H-furo[2,3-g][1,4]benzodioxine-8,3'-indole]-2'-one is sourced from PubChem (CID 143977132), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).