spiro[1,2-dihydroindene-3,2'-1,3-dioxetane]-2-amine

C10H11NO2 — CID 123819052

IUPACspiro[1,2-dihydroindene-3,2'-1,3-dioxetane]-2-amine
SMILESNC1Cc2ccccc2C12OCO2
InChIInChI=1S/C10H11NO2/c11-9-5-7-3-1-2-4-8(7)10(9)12-6-13-10/h1-4,9H,5-6,11H2
InChIKeyMVLOXWNPQQMBTE-UHFFFAOYSA-N
MW177.20 g/mol
LogP0.73
Rot. Bonds

About spiro[1,2-dihydroindene-3,2'-1,3-dioxetane]-2-amine

spiro[1,2-dihydroindene-3,2'-1,3-dioxetane]-2-amine (PubChem CID 123819052) has the molecular formula C10H11NO2 and a molecular weight of 177.20 g/mol. Its IUPAC name is spiro[1,2-dihydroindene-3,2'-1,3-dioxetane]-2-amine.

Molecular Properties

Compound Namespiro[1,2-dihydroindene-3,2'-1,3-dioxetane]-2-amine
PubChem CID123819052
Molecular FormulaC10H11NO2
Molecular Weight177.20 g/mol
Exact Mass177.08
IUPAC Namespiro[1,2-dihydroindene-3,2'-1,3-dioxetane]-2-amine
SMILESNC1Cc2ccccc2C12OCO2
InChIInChI=1S/C10H11NO2/c11-9-5-7-3-1-2-4-8(7)10(9)12-6-13-10/h1-4,9H,5-6,11H2
InChIKeyMVLOXWNPQQMBTE-UHFFFAOYSA-N
XLogP0.73
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.20
LogP ≤ 50.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of spiro[1,2-dihydroindene-3,2'-1,3-dioxetane]-2-amine?
The IUPAC name of spiro[1,2-dihydroindene-3,2'-1,3-dioxetane]-2-amine (CID 123819052) is spiro[1,2-dihydroindene-3,2'-1,3-dioxetane]-2-amine.
What is the SMILES notation for spiro[1,2-dihydroindene-3,2'-1,3-dioxetane]-2-amine?
The canonical SMILES for spiro[1,2-dihydroindene-3,2'-1,3-dioxetane]-2-amine is NC1Cc2ccccc2C12OCO2.
What is the InChIKey of spiro[1,2-dihydroindene-3,2'-1,3-dioxetane]-2-amine?
The InChIKey is MVLOXWNPQQMBTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11NO2/c11-9-5-7-3-1-2-4-8(7)10(9)12-6-13-10/h1-4,9H,5-6,11H2.
What are the key properties of spiro[1,2-dihydroindene-3,2'-1,3-dioxetane]-2-amine?
spiro[1,2-dihydroindene-3,2'-1,3-dioxetane]-2-amine has a molecular weight of 177.20 g/mol, XLogP of 0.73, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for spiro[1,2-dihydroindene-3,2'-1,3-dioxetane]-2-amine is sourced from PubChem (CID 123819052), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).