methoxymethane;2-(6-methyl-2-azaspiro[3.4]octan-2-yl)acetonitrile

C12H22N2O — CID 144515771

IUPACmethoxymethane;2-(6-methyl-2-azaspiro[3.4]octan-2-yl)acetonitrile
SMILESCC1CCC2(C1)CN(CC#N)C2.COC
InChIInChI=1S/C10H16N2.C2H6O/c1-9-2-3-10(6-9)7-12(8-10)5-4-11;1-3-2/h9H,2-3,5-8H2,1H3;1-2H3
InChIKeyOPZDTGPFUBYVEE-UHFFFAOYSA-N
MW210.32 g/mol
LogP1.89
Rot. Bonds1

About methoxymethane;2-(6-methyl-2-azaspiro[3.4]octan-2-yl)acetonitrile

methoxymethane;2-(6-methyl-2-azaspiro[3.4]octan-2-yl)acetonitrile (PubChem CID 144515771) has the molecular formula C12H22N2O and a molecular weight of 210.32 g/mol. Its IUPAC name is methoxymethane;2-(6-methyl-2-azaspiro[3.4]octan-2-yl)acetonitrile.

Molecular Properties

Compound Namemethoxymethane;2-(6-methyl-2-azaspiro[3.4]octan-2-yl)acetonitrile
PubChem CID144515771
Molecular FormulaC12H22N2O
Molecular Weight210.32 g/mol
Exact Mass210.17
IUPAC Namemethoxymethane;2-(6-methyl-2-azaspiro[3.4]octan-2-yl)acetonitrile
SMILESCC1CCC2(C1)CN(CC#N)C2.COC
InChIInChI=1S/C10H16N2.C2H6O/c1-9-2-3-10(6-9)7-12(8-10)5-4-11;1-3-2/h9H,2-3,5-8H2,1H3;1-2H3
InChIKeyOPZDTGPFUBYVEE-UHFFFAOYSA-N
XLogP1.89
TPSA36.26 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.32
LogP ≤ 51.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'cyanamide', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of methoxymethane;2-(6-methyl-2-azaspiro[3.4]octan-2-yl)acetonitrile?
The IUPAC name of methoxymethane;2-(6-methyl-2-azaspiro[3.4]octan-2-yl)acetonitrile (CID 144515771) is methoxymethane;2-(6-methyl-2-azaspiro[3.4]octan-2-yl)acetonitrile.
What is the SMILES notation for methoxymethane;2-(6-methyl-2-azaspiro[3.4]octan-2-yl)acetonitrile?
The canonical SMILES for methoxymethane;2-(6-methyl-2-azaspiro[3.4]octan-2-yl)acetonitrile is CC1CCC2(C1)CN(CC#N)C2.COC.
What is the InChIKey of methoxymethane;2-(6-methyl-2-azaspiro[3.4]octan-2-yl)acetonitrile?
The InChIKey is OPZDTGPFUBYVEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N2.C2H6O/c1-9-2-3-10(6-9)7-12(8-10)5-4-11;1-3-2/h9H,2-3,5-8H2,1H3;1-2H3.
What are the key properties of methoxymethane;2-(6-methyl-2-azaspiro[3.4]octan-2-yl)acetonitrile?
methoxymethane;2-(6-methyl-2-azaspiro[3.4]octan-2-yl)acetonitrile has a molecular weight of 210.32 g/mol, XLogP of 1.89, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methoxymethane;2-(6-methyl-2-azaspiro[3.4]octan-2-yl)acetonitrile is sourced from PubChem (CID 144515771), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).