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

C20H19NO3 — CID 91416856

IUPAC1-cyclopropylspiro[2H-indole-3,8'-3,7-dihydro-2H-furo[2,3-g][1,4]benzodioxine]
SMILESc1ccc2c(c1)N(C1CC1)CC21COc2cc3c(cc21)OCCO3
InChIInChI=1S/C20H19NO3/c1-2-4-16-14(3-1)20(11-21(16)13-5-6-13)12-24-17-10-19-18(9-15(17)20)22-7-8-23-19/h1-4,9-10,13H,5-8,11-12H2
InChIKeyXFNZONCUIYVMLL-UHFFFAOYSA-N
MW321.38 g/mol
LogP3.12
Rot. Bonds1

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

1-cyclopropylspiro[2H-indole-3,8'-3,7-dihydro-2H-furo[2,3-g][1,4]benzodioxine] (PubChem CID 91416856) has the molecular formula C20H19NO3 and a molecular weight of 321.38 g/mol. Its IUPAC name is 1-cyclopropylspiro[2H-indole-3,8'-3,7-dihydro-2H-furo[2,3-g][1,4]benzodioxine].

Molecular Properties

Compound Name1-cyclopropylspiro[2H-indole-3,8'-3,7-dihydro-2H-furo[2,3-g][1,4]benzodioxine]
PubChem CID91416856
Molecular FormulaC20H19NO3
Molecular Weight321.38 g/mol
Exact Mass321.14
IUPAC Name1-cyclopropylspiro[2H-indole-3,8'-3,7-dihydro-2H-furo[2,3-g][1,4]benzodioxine]
SMILESc1ccc2c(c1)N(C1CC1)CC21COc2cc3c(cc21)OCCO3
InChIInChI=1S/C20H19NO3/c1-2-4-16-14(3-1)20(11-21(16)13-5-6-13)12-24-17-10-19-18(9-15(17)20)22-7-8-23-19/h1-4,9-10,13H,5-8,11-12H2
InChIKeyXFNZONCUIYVMLL-UHFFFAOYSA-N
XLogP3.12
TPSA30.93 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.38
LogP ≤ 53.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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

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Related Compounds

(3R)-1-pentylspiro[2H-indole-3,8'-3,7-dihydro-2H-furo[2,3-g][1,4]benzodioxine]
CID 90802978
(3S)-1-pentylspiro[2H-indole-3,8'-3,7-dihydro-2H-furo[2,3-g][1,4]benzodioxine]
CID 90710525
1-[[2-(trifluoromethyl)phenyl]methyl]spiro[2H-indole-3,8'-3,7-dihydro-2H-furo[2,3-g][1,4]benzodioxine]
CID 67357105
1-[[3-(trifluoromethyl)phenyl]methyl]spiro[2H-indole-3,8'-3,7-dihydro-2H-furo[2,3-g][1,4]benzodioxine]
CID 67357144
1-[[1-(oxan-4-yl)piperidin-4-yl]methyl]spiro[2H-indole-3,7'-6H-furo[2,3-f][1,3]benzodioxole]
CID 150217407
1-[(5-chloro-1-methylimidazol-2-yl)methyl]spiro[2H-indole-3,8'-3,7-dihydro-2H-furo[2,3-g][1,4]benzodioxine]
CID 152642855
1-methyl-4-phenylmethoxyspiro[2H-indole-3,8'-3,7-dihydro-2H-furo[2,3-g][1,4]benzodioxine]
CID 67356789
1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]spiro[2H-indole-3,7'-6H-furo[2,3-f][1,3]benzodioxole]
CID 86609007
1-[[(2R)-oxolan-2-yl]methyl]spiro[2H-indole-3,6'-4,7-dihydrofuro[3,2-g][1,3]benzodioxine]
CID 150951159
1,4-dioxane;(8R)-1'-methylspiro[3,7-dihydro-2H-furo[2,3-g][1,4]benzodioxine-8,3'-indole]-2'-one
CID 143977132
1'-[[(2R)-oxolan-2-yl]methyl]spiro[2H-1-benzofuran-3,3'-2H-indole]-6-amine
CID 141266678
(8S)-spiro[3,7-dihydro-2H-furo[2,3-g][1,4]benzodioxine-8,3'-indole]
CID 68599770

Frequently Asked Questions

What is the IUPAC name of 1-cyclopropylspiro[2H-indole-3,8'-3,7-dihydro-2H-furo[2,3-g][1,4]benzodioxine]?
The IUPAC name of 1-cyclopropylspiro[2H-indole-3,8'-3,7-dihydro-2H-furo[2,3-g][1,4]benzodioxine] (CID 91416856) is 1-cyclopropylspiro[2H-indole-3,8'-3,7-dihydro-2H-furo[2,3-g][1,4]benzodioxine].
What is the SMILES notation for 1-cyclopropylspiro[2H-indole-3,8'-3,7-dihydro-2H-furo[2,3-g][1,4]benzodioxine]?
The canonical SMILES for 1-cyclopropylspiro[2H-indole-3,8'-3,7-dihydro-2H-furo[2,3-g][1,4]benzodioxine] is c1ccc2c(c1)N(C1CC1)CC21COc2cc3c(cc21)OCCO3.
What is the InChIKey of 1-cyclopropylspiro[2H-indole-3,8'-3,7-dihydro-2H-furo[2,3-g][1,4]benzodioxine]?
The InChIKey is XFNZONCUIYVMLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19NO3/c1-2-4-16-14(3-1)20(11-21(16)13-5-6-13)12-24-17-10-19-18(9-15(17)20)22-7-8-23-19/h1-4,9-10,13H,5-8,11-12H2.
What are the key properties of 1-cyclopropylspiro[2H-indole-3,8'-3,7-dihydro-2H-furo[2,3-g][1,4]benzodioxine]?
1-cyclopropylspiro[2H-indole-3,8'-3,7-dihydro-2H-furo[2,3-g][1,4]benzodioxine] has a molecular weight of 321.38 g/mol, XLogP of 3.12, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropylspiro[2H-indole-3,8'-3,7-dihydro-2H-furo[2,3-g][1,4]benzodioxine] is sourced from PubChem (CID 91416856), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).