1-azabicyclo[3.3.1]non-3-en-4-ylmethanol

C9H15NO — CID 22120929

IUPAC1-azabicyclo[3.3.1]non-3-en-4-ylmethanol
SMILESOCC1=CCN2CCCC1C2
InChIInChI=1S/C9H15NO/c11-7-9-3-5-10-4-1-2-8(9)6-10/h3,8,11H,1-2,4-7H2
InChIKeyJVZINRCBDMVXPT-UHFFFAOYSA-N
MW153.23 g/mol
LogP0.63
Rot. Bonds1

About 1-azabicyclo[3.3.1]non-3-en-4-ylmethanol

1-azabicyclo[3.3.1]non-3-en-4-ylmethanol (PubChem CID 22120929) has the molecular formula C9H15NO and a molecular weight of 153.23 g/mol. Its IUPAC name is 1-azabicyclo[3.3.1]non-3-en-4-ylmethanol.

Molecular Properties

Compound Name1-azabicyclo[3.3.1]non-3-en-4-ylmethanol
PubChem CID22120929
Molecular FormulaC9H15NO
Molecular Weight153.23 g/mol
Exact Mass153.12
IUPAC Name1-azabicyclo[3.3.1]non-3-en-4-ylmethanol
SMILESOCC1=CCN2CCCC1C2
InChIInChI=1S/C9H15NO/c11-7-9-3-5-10-4-1-2-8(9)6-10/h3,8,11H,1-2,4-7H2
InChIKeyJVZINRCBDMVXPT-UHFFFAOYSA-N
XLogP0.63
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500153.23
LogP ≤ 50.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 1-azabicyclo[3.3.1]non-3-en-4-ylmethanol 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 1-azabicyclo[3.3.1]non-3-en-4-ylmethanol?
The IUPAC name of 1-azabicyclo[3.3.1]non-3-en-4-ylmethanol (CID 22120929) is 1-azabicyclo[3.3.1]non-3-en-4-ylmethanol.
What is the SMILES notation for 1-azabicyclo[3.3.1]non-3-en-4-ylmethanol?
The canonical SMILES for 1-azabicyclo[3.3.1]non-3-en-4-ylmethanol is OCC1=CCN2CCCC1C2.
What is the InChIKey of 1-azabicyclo[3.3.1]non-3-en-4-ylmethanol?
The InChIKey is JVZINRCBDMVXPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15NO/c11-7-9-3-5-10-4-1-2-8(9)6-10/h3,8,11H,1-2,4-7H2.
What are the key properties of 1-azabicyclo[3.3.1]non-3-en-4-ylmethanol?
1-azabicyclo[3.3.1]non-3-en-4-ylmethanol has a molecular weight of 153.23 g/mol, XLogP of 0.63, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-azabicyclo[3.3.1]non-3-en-4-ylmethanol is sourced from PubChem (CID 22120929), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).