3-hydroxybicyclo[3.3.1]nonane-1-carbonitrile;methane

C11H19NO — CID 118139865

IUPAC3-hydroxybicyclo[3.3.1]nonane-1-carbonitrile;methane
SMILESC.N#CC12CCCC(CC(O)C1)C2
InChIInChI=1S/C10H15NO.CH4/c11-7-10-3-1-2-8(5-10)4-9(12)6-10;/h8-9,12H,1-6H2;1H4
InChIKeyZIZASESHSWCPLV-UHFFFAOYSA-N
MW181.28 g/mol
LogP2.48
Rot. Bonds

About 3-hydroxybicyclo[3.3.1]nonane-1-carbonitrile;methane

3-hydroxybicyclo[3.3.1]nonane-1-carbonitrile;methane (PubChem CID 118139865) has the molecular formula C11H19NO and a molecular weight of 181.28 g/mol. Its IUPAC name is 3-hydroxybicyclo[3.3.1]nonane-1-carbonitrile;methane.

Molecular Properties

Compound Name3-hydroxybicyclo[3.3.1]nonane-1-carbonitrile;methane
PubChem CID118139865
Molecular FormulaC11H19NO
Molecular Weight181.28 g/mol
Exact Mass181.15
IUPAC Name3-hydroxybicyclo[3.3.1]nonane-1-carbonitrile;methane
SMILESC.N#CC12CCCC(CC(O)C1)C2
InChIInChI=1S/C10H15NO.CH4/c11-7-10-3-1-2-8(5-10)4-9(12)6-10;/h8-9,12H,1-6H2;1H4
InChIKeyZIZASESHSWCPLV-UHFFFAOYSA-N
XLogP2.48
TPSA44.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.28
LogP ≤ 52.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-hydroxybicyclo[3.3.1]nonane-1-carbonitrile;methane?
The IUPAC name of 3-hydroxybicyclo[3.3.1]nonane-1-carbonitrile;methane (CID 118139865) is 3-hydroxybicyclo[3.3.1]nonane-1-carbonitrile;methane.
What is the SMILES notation for 3-hydroxybicyclo[3.3.1]nonane-1-carbonitrile;methane?
The canonical SMILES for 3-hydroxybicyclo[3.3.1]nonane-1-carbonitrile;methane is C.N#CC12CCCC(CC(O)C1)C2.
What is the InChIKey of 3-hydroxybicyclo[3.3.1]nonane-1-carbonitrile;methane?
The InChIKey is ZIZASESHSWCPLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15NO.CH4/c11-7-10-3-1-2-8(5-10)4-9(12)6-10;/h8-9,12H,1-6H2;1H4.
What are the key properties of 3-hydroxybicyclo[3.3.1]nonane-1-carbonitrile;methane?
3-hydroxybicyclo[3.3.1]nonane-1-carbonitrile;methane has a molecular weight of 181.28 g/mol, XLogP of 2.48, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-hydroxybicyclo[3.3.1]nonane-1-carbonitrile;methane is sourced from PubChem (CID 118139865), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).