5-methyl-2-oxa-7-azaspiro[3.5]nonane-9-carbonitrile

C9H14N2O — CID 83959975

IUPAC5-methyl-2-oxa-7-azaspiro[3.5]nonane-9-carbonitrile
SMILESCC1CNCC(C#N)C12COC2
InChIInChI=1S/C9H14N2O/c1-7-3-11-4-8(2-10)9(7)5-12-6-9/h7-8,11H,3-6H2,1H3
InChIKeyAAULSHCLZNDZNZ-UHFFFAOYSA-N
MW166.22 g/mol
LogP0.38
Rot. Bonds

About 5-methyl-2-oxa-7-azaspiro[3.5]nonane-9-carbonitrile

5-methyl-2-oxa-7-azaspiro[3.5]nonane-9-carbonitrile (PubChem CID 83959975) has the molecular formula C9H14N2O and a molecular weight of 166.22 g/mol. Its IUPAC name is 5-methyl-2-oxa-7-azaspiro[3.5]nonane-9-carbonitrile.

Molecular Properties

Compound Name5-methyl-2-oxa-7-azaspiro[3.5]nonane-9-carbonitrile
PubChem CID83959975
Molecular FormulaC9H14N2O
Molecular Weight166.22 g/mol
Exact Mass166.11
IUPAC Name5-methyl-2-oxa-7-azaspiro[3.5]nonane-9-carbonitrile
SMILESCC1CNCC(C#N)C12COC2
InChIInChI=1S/C9H14N2O/c1-7-3-11-4-8(2-10)9(7)5-12-6-9/h7-8,11H,3-6H2,1H3
InChIKeyAAULSHCLZNDZNZ-UHFFFAOYSA-N
XLogP0.38
TPSA45.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.22
LogP ≤ 50.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-methyl-2-oxa-7-azaspiro[3.5]nonane-9-carbonitrile?
The IUPAC name of 5-methyl-2-oxa-7-azaspiro[3.5]nonane-9-carbonitrile (CID 83959975) is 5-methyl-2-oxa-7-azaspiro[3.5]nonane-9-carbonitrile.
What is the SMILES notation for 5-methyl-2-oxa-7-azaspiro[3.5]nonane-9-carbonitrile?
The canonical SMILES for 5-methyl-2-oxa-7-azaspiro[3.5]nonane-9-carbonitrile is CC1CNCC(C#N)C12COC2.
What is the InChIKey of 5-methyl-2-oxa-7-azaspiro[3.5]nonane-9-carbonitrile?
The InChIKey is AAULSHCLZNDZNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N2O/c1-7-3-11-4-8(2-10)9(7)5-12-6-9/h7-8,11H,3-6H2,1H3.
What are the key properties of 5-methyl-2-oxa-7-azaspiro[3.5]nonane-9-carbonitrile?
5-methyl-2-oxa-7-azaspiro[3.5]nonane-9-carbonitrile has a molecular weight of 166.22 g/mol, XLogP of 0.38, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-2-oxa-7-azaspiro[3.5]nonane-9-carbonitrile is sourced from PubChem (CID 83959975), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).