[(1R)-9-azabicyclo[4.2.1]non-2-en-2-yl]methanol

C9H15NO — CID 3037388

IUPAC[(1R)-9-azabicyclo[4.2.1]non-2-en-2-yl]methanol
SMILESOCC1=CCCC2CC[C@H]1N2
InChIInChI=1S/C9H15NO/c11-6-7-2-1-3-8-4-5-9(7)10-8/h2,8-11H,1,3-6H2/t8?,9-/m1/s1
InChIKeyMLRVBZXXXNPVAC-YGPZHTELSA-N
MW153.23 g/mol
LogP0.82
Rot. Bonds1

About [(1R)-9-azabicyclo[4.2.1]non-2-en-2-yl]methanol

[(1R)-9-azabicyclo[4.2.1]non-2-en-2-yl]methanol (PubChem CID 3037388) has the molecular formula C9H15NO and a molecular weight of 153.23 g/mol. Its IUPAC name is [(1R)-9-azabicyclo[4.2.1]non-2-en-2-yl]methanol.

Molecular Properties

Compound Name[(1R)-9-azabicyclo[4.2.1]non-2-en-2-yl]methanol
PubChem CID3037388
Molecular FormulaC9H15NO
Molecular Weight153.23 g/mol
Exact Mass153.12
IUPAC Name[(1R)-9-azabicyclo[4.2.1]non-2-en-2-yl]methanol
SMILESOCC1=CCCC2CC[C@H]1N2
InChIInChI=1S/C9H15NO/c11-6-7-2-1-3-8-4-5-9(7)10-8/h2,8-11H,1,3-6H2/t8?,9-/m1/s1
InChIKeyMLRVBZXXXNPVAC-YGPZHTELSA-N
XLogP0.82
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500153.23
LogP ≤ 50.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze [(1R)-9-azabicyclo[4.2.1]non-2-en-2-yl]methanol 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 [(1R)-9-azabicyclo[4.2.1]non-2-en-2-yl]methanol?
The IUPAC name of [(1R)-9-azabicyclo[4.2.1]non-2-en-2-yl]methanol (CID 3037388) is [(1R)-9-azabicyclo[4.2.1]non-2-en-2-yl]methanol.
What is the SMILES notation for [(1R)-9-azabicyclo[4.2.1]non-2-en-2-yl]methanol?
The canonical SMILES for [(1R)-9-azabicyclo[4.2.1]non-2-en-2-yl]methanol is OCC1=CCCC2CC[C@H]1N2.
What is the InChIKey of [(1R)-9-azabicyclo[4.2.1]non-2-en-2-yl]methanol?
The InChIKey is MLRVBZXXXNPVAC-YGPZHTELSA-N. The full InChI is InChI=1S/C9H15NO/c11-6-7-2-1-3-8-4-5-9(7)10-8/h2,8-11H,1,3-6H2/t8?,9-/m1/s1.
What are the key properties of [(1R)-9-azabicyclo[4.2.1]non-2-en-2-yl]methanol?
[(1R)-9-azabicyclo[4.2.1]non-2-en-2-yl]methanol has a molecular weight of 153.23 g/mol, XLogP of 0.82, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(1R)-9-azabicyclo[4.2.1]non-2-en-2-yl]methanol is sourced from PubChem (CID 3037388), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).