2-(dimethylamino)-8-oxabicyclo[3.2.1]octane-2-carbonitrile

C10H16N2O — CID 130802682

IUPAC2-(dimethylamino)-8-oxabicyclo[3.2.1]octane-2-carbonitrile
SMILESCN(C)C1(C#N)CCC2CCC1O2
InChIInChI=1S/C10H16N2O/c1-12(2)10(7-11)6-5-8-3-4-9(10)13-8/h8-9H,3-6H2,1-2H3
InChIKeyAJJYXKZCHNFBDK-UHFFFAOYSA-N
MW180.25 g/mol
LogP1.15
Rot. Bonds1

About 2-(dimethylamino)-8-oxabicyclo[3.2.1]octane-2-carbonitrile

2-(dimethylamino)-8-oxabicyclo[3.2.1]octane-2-carbonitrile (PubChem CID 130802682) has the molecular formula C10H16N2O and a molecular weight of 180.25 g/mol. Its IUPAC name is 2-(dimethylamino)-8-oxabicyclo[3.2.1]octane-2-carbonitrile.

Molecular Properties

Compound Name2-(dimethylamino)-8-oxabicyclo[3.2.1]octane-2-carbonitrile
PubChem CID130802682
Molecular FormulaC10H16N2O
Molecular Weight180.25 g/mol
Exact Mass180.13
IUPAC Name2-(dimethylamino)-8-oxabicyclo[3.2.1]octane-2-carbonitrile
SMILESCN(C)C1(C#N)CCC2CCC1O2
InChIInChI=1S/C10H16N2O/c1-12(2)10(7-11)6-5-8-3-4-9(10)13-8/h8-9H,3-6H2,1-2H3
InChIKeyAJJYXKZCHNFBDK-UHFFFAOYSA-N
XLogP1.15
TPSA36.26 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.25
LogP ≤ 51.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(dimethylamino)-8-oxabicyclo[3.2.1]octane-2-carbonitrile?
The IUPAC name of 2-(dimethylamino)-8-oxabicyclo[3.2.1]octane-2-carbonitrile (CID 130802682) is 2-(dimethylamino)-8-oxabicyclo[3.2.1]octane-2-carbonitrile.
What is the SMILES notation for 2-(dimethylamino)-8-oxabicyclo[3.2.1]octane-2-carbonitrile?
The canonical SMILES for 2-(dimethylamino)-8-oxabicyclo[3.2.1]octane-2-carbonitrile is CN(C)C1(C#N)CCC2CCC1O2.
What is the InChIKey of 2-(dimethylamino)-8-oxabicyclo[3.2.1]octane-2-carbonitrile?
The InChIKey is AJJYXKZCHNFBDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N2O/c1-12(2)10(7-11)6-5-8-3-4-9(10)13-8/h8-9H,3-6H2,1-2H3.
What are the key properties of 2-(dimethylamino)-8-oxabicyclo[3.2.1]octane-2-carbonitrile?
2-(dimethylamino)-8-oxabicyclo[3.2.1]octane-2-carbonitrile has a molecular weight of 180.25 g/mol, XLogP of 1.15, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(dimethylamino)-8-oxabicyclo[3.2.1]octane-2-carbonitrile is sourced from PubChem (CID 130802682), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).