1-[8-(hydroxymethyl)-6-azaspiro[3.4]octan-6-yl]-2-(methylamino)ethanone

C11H20N2O2 — CID 121204387

IUPAC1-[8-(hydroxymethyl)-6-azaspiro[3.4]octan-6-yl]-2-(methylamino)ethanone
SMILESCNCC(=O)N1CC(CO)C2(CCC2)C1
InChIInChI=1S/C11H20N2O2/c1-12-5-10(15)13-6-9(7-14)11(8-13)3-2-4-11/h9,12,14H,2-8H2,1H3
InChIKeyZNZZNQNIXZYAPR-UHFFFAOYSA-N
MW212.29 g/mol
LogP-0.17
Rot. Bonds3

About 1-[8-(hydroxymethyl)-6-azaspiro[3.4]octan-6-yl]-2-(methylamino)ethanone

1-[8-(hydroxymethyl)-6-azaspiro[3.4]octan-6-yl]-2-(methylamino)ethanone (PubChem CID 121204387) has the molecular formula C11H20N2O2 and a molecular weight of 212.29 g/mol. Its IUPAC name is 1-[8-(hydroxymethyl)-6-azaspiro[3.4]octan-6-yl]-2-(methylamino)ethanone.

Molecular Properties

Compound Name1-[8-(hydroxymethyl)-6-azaspiro[3.4]octan-6-yl]-2-(methylamino)ethanone
PubChem CID121204387
Molecular FormulaC11H20N2O2
Molecular Weight212.29 g/mol
Exact Mass212.15
IUPAC Name1-[8-(hydroxymethyl)-6-azaspiro[3.4]octan-6-yl]-2-(methylamino)ethanone
SMILESCNCC(=O)N1CC(CO)C2(CCC2)C1
InChIInChI=1S/C11H20N2O2/c1-12-5-10(15)13-6-9(7-14)11(8-13)3-2-4-11/h9,12,14H,2-8H2,1H3
InChIKeyZNZZNQNIXZYAPR-UHFFFAOYSA-N
XLogP-0.17
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.29
LogP ≤ 5-0.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[8-(hydroxymethyl)-6-azaspiro[3.4]octan-6-yl]-2-(methylamino)ethanone?
The IUPAC name of 1-[8-(hydroxymethyl)-6-azaspiro[3.4]octan-6-yl]-2-(methylamino)ethanone (CID 121204387) is 1-[8-(hydroxymethyl)-6-azaspiro[3.4]octan-6-yl]-2-(methylamino)ethanone.
What is the SMILES notation for 1-[8-(hydroxymethyl)-6-azaspiro[3.4]octan-6-yl]-2-(methylamino)ethanone?
The canonical SMILES for 1-[8-(hydroxymethyl)-6-azaspiro[3.4]octan-6-yl]-2-(methylamino)ethanone is CNCC(=O)N1CC(CO)C2(CCC2)C1.
What is the InChIKey of 1-[8-(hydroxymethyl)-6-azaspiro[3.4]octan-6-yl]-2-(methylamino)ethanone?
The InChIKey is ZNZZNQNIXZYAPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N2O2/c1-12-5-10(15)13-6-9(7-14)11(8-13)3-2-4-11/h9,12,14H,2-8H2,1H3.
What are the key properties of 1-[8-(hydroxymethyl)-6-azaspiro[3.4]octan-6-yl]-2-(methylamino)ethanone?
1-[8-(hydroxymethyl)-6-azaspiro[3.4]octan-6-yl]-2-(methylamino)ethanone has a molecular weight of 212.29 g/mol, XLogP of -0.17, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[8-(hydroxymethyl)-6-azaspiro[3.4]octan-6-yl]-2-(methylamino)ethanone is sourced from PubChem (CID 121204387), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).