spiro[1,3-dioxetane-2,1'-3,4-dihydro-2H-naphthalene]-2'-amine

C11H13NO2 — CID 123348666

IUPACspiro[1,3-dioxetane-2,1'-3,4-dihydro-2H-naphthalene]-2'-amine
SMILESNC1CCc2ccccc2C12OCO2
InChIInChI=1S/C11H13NO2/c12-10-6-5-8-3-1-2-4-9(8)11(10)13-7-14-11/h1-4,10H,5-7,12H2
InChIKeySBSIZCSBYLFMNN-UHFFFAOYSA-N
MW191.23 g/mol
LogP1.12
Rot. Bonds

About spiro[1,3-dioxetane-2,1'-3,4-dihydro-2H-naphthalene]-2'-amine

spiro[1,3-dioxetane-2,1'-3,4-dihydro-2H-naphthalene]-2'-amine (PubChem CID 123348666) has the molecular formula C11H13NO2 and a molecular weight of 191.23 g/mol. Its IUPAC name is spiro[1,3-dioxetane-2,1'-3,4-dihydro-2H-naphthalene]-2'-amine.

Molecular Properties

Compound Namespiro[1,3-dioxetane-2,1'-3,4-dihydro-2H-naphthalene]-2'-amine
PubChem CID123348666
Molecular FormulaC11H13NO2
Molecular Weight191.23 g/mol
Exact Mass191.09
IUPAC Namespiro[1,3-dioxetane-2,1'-3,4-dihydro-2H-naphthalene]-2'-amine
SMILESNC1CCc2ccccc2C12OCO2
InChIInChI=1S/C11H13NO2/c12-10-6-5-8-3-1-2-4-9(8)11(10)13-7-14-11/h1-4,10H,5-7,12H2
InChIKeySBSIZCSBYLFMNN-UHFFFAOYSA-N
XLogP1.12
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.23
LogP ≤ 51.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of spiro[1,3-dioxetane-2,1'-3,4-dihydro-2H-naphthalene]-2'-amine?
The IUPAC name of spiro[1,3-dioxetane-2,1'-3,4-dihydro-2H-naphthalene]-2'-amine (CID 123348666) is spiro[1,3-dioxetane-2,1'-3,4-dihydro-2H-naphthalene]-2'-amine.
What is the SMILES notation for spiro[1,3-dioxetane-2,1'-3,4-dihydro-2H-naphthalene]-2'-amine?
The canonical SMILES for spiro[1,3-dioxetane-2,1'-3,4-dihydro-2H-naphthalene]-2'-amine is NC1CCc2ccccc2C12OCO2.
What is the InChIKey of spiro[1,3-dioxetane-2,1'-3,4-dihydro-2H-naphthalene]-2'-amine?
The InChIKey is SBSIZCSBYLFMNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13NO2/c12-10-6-5-8-3-1-2-4-9(8)11(10)13-7-14-11/h1-4,10H,5-7,12H2.
What are the key properties of spiro[1,3-dioxetane-2,1'-3,4-dihydro-2H-naphthalene]-2'-amine?
spiro[1,3-dioxetane-2,1'-3,4-dihydro-2H-naphthalene]-2'-amine has a molecular weight of 191.23 g/mol, XLogP of 1.12, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for spiro[1,3-dioxetane-2,1'-3,4-dihydro-2H-naphthalene]-2'-amine is sourced from PubChem (CID 123348666), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).