spiro[1,3-dioxane-2,3'-1H-indole]-2'-one

C11H11NO3 — CID 653687

IUPACspiro[1,3-dioxane-2,3'-1H-indole]-2'-one
SMILESO=C1Nc2ccccc2C12OCCCO2
InChIInChI=1S/C11H11NO3/c13-10-11(14-6-3-7-15-11)8-4-1-2-5-9(8)12-10/h1-2,4-5H,3,6-7H2,(H,12,13)
InChIKeyFPCFCMNSACXKRQ-UHFFFAOYSA-N
MW205.21 g/mol
LogP1.23
Rot. Bonds

About spiro[1,3-dioxane-2,3'-1H-indole]-2'-one

spiro[1,3-dioxane-2,3'-1H-indole]-2'-one (PubChem CID 653687) has the molecular formula C11H11NO3 and a molecular weight of 205.21 g/mol. Its IUPAC name is spiro[1,3-dioxane-2,3'-1H-indole]-2'-one.

Molecular Properties

Compound Namespiro[1,3-dioxane-2,3'-1H-indole]-2'-one
PubChem CID653687
Molecular FormulaC11H11NO3
Molecular Weight205.21 g/mol
Exact Mass205.07
IUPAC Namespiro[1,3-dioxane-2,3'-1H-indole]-2'-one
SMILESO=C1Nc2ccccc2C12OCCCO2
InChIInChI=1S/C11H11NO3/c13-10-11(14-6-3-7-15-11)8-4-1-2-5-9(8)12-10/h1-2,4-5H,3,6-7H2,(H,12,13)
InChIKeyFPCFCMNSACXKRQ-UHFFFAOYSA-N
XLogP1.23
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.21
LogP ≤ 51.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of spiro[1,3-dioxane-2,3'-1H-indole]-2'-one?
The IUPAC name of spiro[1,3-dioxane-2,3'-1H-indole]-2'-one (CID 653687) is spiro[1,3-dioxane-2,3'-1H-indole]-2'-one.
What is the SMILES notation for spiro[1,3-dioxane-2,3'-1H-indole]-2'-one?
The canonical SMILES for spiro[1,3-dioxane-2,3'-1H-indole]-2'-one is O=C1Nc2ccccc2C12OCCCO2.
What is the InChIKey of spiro[1,3-dioxane-2,3'-1H-indole]-2'-one?
The InChIKey is FPCFCMNSACXKRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11NO3/c13-10-11(14-6-3-7-15-11)8-4-1-2-5-9(8)12-10/h1-2,4-5H,3,6-7H2,(H,12,13).
What are the key properties of spiro[1,3-dioxane-2,3'-1H-indole]-2'-one?
spiro[1,3-dioxane-2,3'-1H-indole]-2'-one has a molecular weight of 205.21 g/mol, XLogP of 1.23, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for spiro[1,3-dioxane-2,3'-1H-indole]-2'-one is sourced from PubChem (CID 653687), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).