1'-methylspiro[1,3-dioxolane-2,3'-indole]-2'-one

C11H11NO3 — CID 600949

IUPAC1'-methylspiro[1,3-dioxolane-2,3'-indole]-2'-one
SMILESCN1C(=O)C2(OCCO2)c2ccccc21
InChIInChI=1S/C11H11NO3/c1-12-9-5-3-2-4-8(9)11(10(12)13)14-6-7-15-11/h2-5H,6-7H2,1H3
InChIKeyZRQSXJLARJOLEJ-UHFFFAOYSA-N
MW205.21 g/mol
LogP0.86
Rot. Bonds

About 1'-methylspiro[1,3-dioxolane-2,3'-indole]-2'-one

1'-methylspiro[1,3-dioxolane-2,3'-indole]-2'-one (PubChem CID 600949) has the molecular formula C11H11NO3 and a molecular weight of 205.21 g/mol. Its IUPAC name is 1'-methylspiro[1,3-dioxolane-2,3'-indole]-2'-one.

Molecular Properties

Compound Name1'-methylspiro[1,3-dioxolane-2,3'-indole]-2'-one
PubChem CID600949
Molecular FormulaC11H11NO3
Molecular Weight205.21 g/mol
Exact Mass205.07
IUPAC Name1'-methylspiro[1,3-dioxolane-2,3'-indole]-2'-one
SMILESCN1C(=O)C2(OCCO2)c2ccccc21
InChIInChI=1S/C11H11NO3/c1-12-9-5-3-2-4-8(9)11(10(12)13)14-6-7-15-11/h2-5H,6-7H2,1H3
InChIKeyZRQSXJLARJOLEJ-UHFFFAOYSA-N
XLogP0.86
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.21
LogP ≤ 50.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1'-methylspiro[1,3-dioxolane-2,3'-indole]-2'-one?
The IUPAC name of 1'-methylspiro[1,3-dioxolane-2,3'-indole]-2'-one (CID 600949) is 1'-methylspiro[1,3-dioxolane-2,3'-indole]-2'-one.
What is the SMILES notation for 1'-methylspiro[1,3-dioxolane-2,3'-indole]-2'-one?
The canonical SMILES for 1'-methylspiro[1,3-dioxolane-2,3'-indole]-2'-one is CN1C(=O)C2(OCCO2)c2ccccc21.
What is the InChIKey of 1'-methylspiro[1,3-dioxolane-2,3'-indole]-2'-one?
The InChIKey is ZRQSXJLARJOLEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11NO3/c1-12-9-5-3-2-4-8(9)11(10(12)13)14-6-7-15-11/h2-5H,6-7H2,1H3.
What are the key properties of 1'-methylspiro[1,3-dioxolane-2,3'-indole]-2'-one?
1'-methylspiro[1,3-dioxolane-2,3'-indole]-2'-one has a molecular weight of 205.21 g/mol, XLogP of 0.86, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1'-methylspiro[1,3-dioxolane-2,3'-indole]-2'-one is sourced from PubChem (CID 600949), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).