(8S)-spiro[3,7-dihydro-2H-furo[2,3-g][1,4]benzodioxine-8,3'-indole]

C17H13NO3 — CID 68599770

IUPAC(8S)-spiro[3,7-dihydro-2H-furo[2,3-g][1,4]benzodioxine-8,3'-indole]
SMILESC1=Nc2ccccc2[C@@]12COc1cc3c(cc12)OCCO3
InChIInChI=1S/C17H13NO3/c1-2-4-13-11(3-1)17(9-18-13)10-21-14-8-16-15(7-12(14)17)19-5-6-20-16/h1-4,7-9H,5-6,10H2/t17-/m0/s1
InChIKeyOCLHWEFIGDCXSZ-KRWDZBQOSA-N
MW279.30 g/mol
LogP2.85
Rot. Bonds

About (8S)-spiro[3,7-dihydro-2H-furo[2,3-g][1,4]benzodioxine-8,3'-indole]

(8S)-spiro[3,7-dihydro-2H-furo[2,3-g][1,4]benzodioxine-8,3'-indole] (PubChem CID 68599770) has the molecular formula C17H13NO3 and a molecular weight of 279.30 g/mol. Its IUPAC name is (8S)-spiro[3,7-dihydro-2H-furo[2,3-g][1,4]benzodioxine-8,3'-indole].

Molecular Properties

Compound Name(8S)-spiro[3,7-dihydro-2H-furo[2,3-g][1,4]benzodioxine-8,3'-indole]
PubChem CID68599770
Molecular FormulaC17H13NO3
Molecular Weight279.30 g/mol
Exact Mass279.09
IUPAC Name(8S)-spiro[3,7-dihydro-2H-furo[2,3-g][1,4]benzodioxine-8,3'-indole]
SMILESC1=Nc2ccccc2[C@@]12COc1cc3c(cc12)OCCO3
InChIInChI=1S/C17H13NO3/c1-2-4-13-11(3-1)17(9-18-13)10-21-14-8-16-15(7-12(14)17)19-5-6-20-16/h1-4,7-9H,5-6,10H2/t17-/m0/s1
InChIKeyOCLHWEFIGDCXSZ-KRWDZBQOSA-N
XLogP2.85
TPSA40.05 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.30
LogP ≤ 52.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (8S)-spiro[3,7-dihydro-2H-furo[2,3-g][1,4]benzodioxine-8,3'-indole]?
The IUPAC name of (8S)-spiro[3,7-dihydro-2H-furo[2,3-g][1,4]benzodioxine-8,3'-indole] (CID 68599770) is (8S)-spiro[3,7-dihydro-2H-furo[2,3-g][1,4]benzodioxine-8,3'-indole].
What is the SMILES notation for (8S)-spiro[3,7-dihydro-2H-furo[2,3-g][1,4]benzodioxine-8,3'-indole]?
The canonical SMILES for (8S)-spiro[3,7-dihydro-2H-furo[2,3-g][1,4]benzodioxine-8,3'-indole] is C1=Nc2ccccc2[C@@]12COc1cc3c(cc12)OCCO3.
What is the InChIKey of (8S)-spiro[3,7-dihydro-2H-furo[2,3-g][1,4]benzodioxine-8,3'-indole]?
The InChIKey is OCLHWEFIGDCXSZ-KRWDZBQOSA-N. The full InChI is InChI=1S/C17H13NO3/c1-2-4-13-11(3-1)17(9-18-13)10-21-14-8-16-15(7-12(14)17)19-5-6-20-16/h1-4,7-9H,5-6,10H2/t17-/m0/s1.
What are the key properties of (8S)-spiro[3,7-dihydro-2H-furo[2,3-g][1,4]benzodioxine-8,3'-indole]?
(8S)-spiro[3,7-dihydro-2H-furo[2,3-g][1,4]benzodioxine-8,3'-indole] has a molecular weight of 279.30 g/mol, XLogP of 2.85, 0 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (8S)-spiro[3,7-dihydro-2H-furo[2,3-g][1,4]benzodioxine-8,3'-indole] is sourced from PubChem (CID 68599770), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).