(1S,5R)-3-oxa-9-azabicyclo[3.3.1]nonane-7-carbonitrile

C8H12N2O — CID 70162011

IUPAC(1S,5R)-3-oxa-9-azabicyclo[3.3.1]nonane-7-carbonitrile
SMILESN#CC1C[C@H]2COC[C@@H](C1)N2
InChIInChI=1S/C8H12N2O/c9-3-6-1-7-4-11-5-8(2-6)10-7/h6-8,10H,1-2,4-5H2/t6?,7-,8+
InChIKeyLRBIZISHUXUJMW-IEESLHIDSA-N
MW152.20 g/mol
LogP0.28
Rot. Bonds

About (1S,5R)-3-oxa-9-azabicyclo[3.3.1]nonane-7-carbonitrile

(1S,5R)-3-oxa-9-azabicyclo[3.3.1]nonane-7-carbonitrile (PubChem CID 70162011) has the molecular formula C8H12N2O and a molecular weight of 152.20 g/mol. Its IUPAC name is (1S,5R)-3-oxa-9-azabicyclo[3.3.1]nonane-7-carbonitrile.

Molecular Properties

Compound Name(1S,5R)-3-oxa-9-azabicyclo[3.3.1]nonane-7-carbonitrile
PubChem CID70162011
Molecular FormulaC8H12N2O
Molecular Weight152.20 g/mol
Exact Mass152.09
IUPAC Name(1S,5R)-3-oxa-9-azabicyclo[3.3.1]nonane-7-carbonitrile
SMILESN#CC1C[C@H]2COC[C@@H](C1)N2
InChIInChI=1S/C8H12N2O/c9-3-6-1-7-4-11-5-8(2-6)10-7/h6-8,10H,1-2,4-5H2/t6?,7-,8+
InChIKeyLRBIZISHUXUJMW-IEESLHIDSA-N
XLogP0.28
TPSA45.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500152.20
LogP ≤ 50.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze (1S,5R)-3-oxa-9-azabicyclo[3.3.1]nonane-7-carbonitrile with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (1S,5R)-3-oxa-9-azabicyclo[3.3.1]nonane-7-carbonitrile?
The IUPAC name of (1S,5R)-3-oxa-9-azabicyclo[3.3.1]nonane-7-carbonitrile (CID 70162011) is (1S,5R)-3-oxa-9-azabicyclo[3.3.1]nonane-7-carbonitrile.
What is the SMILES notation for (1S,5R)-3-oxa-9-azabicyclo[3.3.1]nonane-7-carbonitrile?
The canonical SMILES for (1S,5R)-3-oxa-9-azabicyclo[3.3.1]nonane-7-carbonitrile is N#CC1C[C@H]2COC[C@@H](C1)N2.
What is the InChIKey of (1S,5R)-3-oxa-9-azabicyclo[3.3.1]nonane-7-carbonitrile?
The InChIKey is LRBIZISHUXUJMW-IEESLHIDSA-N. The full InChI is InChI=1S/C8H12N2O/c9-3-6-1-7-4-11-5-8(2-6)10-7/h6-8,10H,1-2,4-5H2/t6?,7-,8+.
What are the key properties of (1S,5R)-3-oxa-9-azabicyclo[3.3.1]nonane-7-carbonitrile?
(1S,5R)-3-oxa-9-azabicyclo[3.3.1]nonane-7-carbonitrile has a molecular weight of 152.20 g/mol, XLogP of 0.28, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,5R)-3-oxa-9-azabicyclo[3.3.1]nonane-7-carbonitrile is sourced from PubChem (CID 70162011), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).