(1R,5S)-6-azabicyclo[3.2.2]nonane-8-carbonitrile

C9H14N2 — CID 10464499

IUPAC(1R,5S)-6-azabicyclo[3.2.2]nonane-8-carbonitrile
SMILESN#CC1C[C@@H]2CCC[C@H]1CN2
InChIInChI=1S/C9H14N2/c10-5-8-4-9-3-1-2-7(8)6-11-9/h7-9,11H,1-4,6H2/t7-,8?,9-/m0/s1
InChIKeyBTVVIZXAGSNRCR-SMOXQLQSSA-N
MW150.22 g/mol
LogP1.29
Rot. Bonds

About (1R,5S)-6-azabicyclo[3.2.2]nonane-8-carbonitrile

(1R,5S)-6-azabicyclo[3.2.2]nonane-8-carbonitrile (PubChem CID 10464499) has the molecular formula C9H14N2 and a molecular weight of 150.22 g/mol. Its IUPAC name is (1R,5S)-6-azabicyclo[3.2.2]nonane-8-carbonitrile.

Molecular Properties

Compound Name(1R,5S)-6-azabicyclo[3.2.2]nonane-8-carbonitrile
PubChem CID10464499
Molecular FormulaC9H14N2
Molecular Weight150.22 g/mol
Exact Mass150.12
IUPAC Name(1R,5S)-6-azabicyclo[3.2.2]nonane-8-carbonitrile
SMILESN#CC1C[C@@H]2CCC[C@H]1CN2
InChIInChI=1S/C9H14N2/c10-5-8-4-9-3-1-2-7(8)6-11-9/h7-9,11H,1-4,6H2/t7-,8?,9-/m0/s1
InChIKeyBTVVIZXAGSNRCR-SMOXQLQSSA-N
XLogP1.29
TPSA35.82 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500150.22
LogP ≤ 51.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (1R,5S)-6-azabicyclo[3.2.2]nonane-8-carbonitrile?
The IUPAC name of (1R,5S)-6-azabicyclo[3.2.2]nonane-8-carbonitrile (CID 10464499) is (1R,5S)-6-azabicyclo[3.2.2]nonane-8-carbonitrile.
What is the SMILES notation for (1R,5S)-6-azabicyclo[3.2.2]nonane-8-carbonitrile?
The canonical SMILES for (1R,5S)-6-azabicyclo[3.2.2]nonane-8-carbonitrile is N#CC1C[C@@H]2CCC[C@H]1CN2.
What is the InChIKey of (1R,5S)-6-azabicyclo[3.2.2]nonane-8-carbonitrile?
The InChIKey is BTVVIZXAGSNRCR-SMOXQLQSSA-N. The full InChI is InChI=1S/C9H14N2/c10-5-8-4-9-3-1-2-7(8)6-11-9/h7-9,11H,1-4,6H2/t7-,8?,9-/m0/s1.
What are the key properties of (1R,5S)-6-azabicyclo[3.2.2]nonane-8-carbonitrile?
(1R,5S)-6-azabicyclo[3.2.2]nonane-8-carbonitrile has a molecular weight of 150.22 g/mol, XLogP of 1.29, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,5S)-6-azabicyclo[3.2.2]nonane-8-carbonitrile is sourced from PubChem (CID 10464499), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).