4-azatricyclo[4.2.1.03,7]nonan-9-ylmethanol

C9H15NO — CID 130059451

IUPAC4-azatricyclo[4.2.1.03,7]nonan-9-ylmethanol
SMILESOCC1C2CC3NCC1C3C2
InChIInChI=1S/C9H15NO/c11-4-8-5-1-6-7(8)3-10-9(6)2-5/h5-11H,1-4H2
InChIKeyIVYPWVYKYLTMGJ-UHFFFAOYSA-N
MW153.22 g/mol
LogP0.22
Rot. Bonds1

About 4-azatricyclo[4.2.1.03,7]nonan-9-ylmethanol

4-azatricyclo[4.2.1.03,7]nonan-9-ylmethanol (PubChem CID 130059451) has the molecular formula C9H15NO and a molecular weight of 153.22 g/mol. Its IUPAC name is 4-azatricyclo[4.2.1.03,7]nonan-9-ylmethanol.

Molecular Properties

Compound Name4-azatricyclo[4.2.1.03,7]nonan-9-ylmethanol
PubChem CID130059451
Molecular FormulaC9H15NO
Molecular Weight153.22 g/mol
Exact Mass153.12
IUPAC Name4-azatricyclo[4.2.1.03,7]nonan-9-ylmethanol
SMILESOCC1C2CC3NCC1C3C2
InChIInChI=1S/C9H15NO/c11-4-8-5-1-6-7(8)3-10-9(6)2-5/h5-11H,1-4H2
InChIKeyIVYPWVYKYLTMGJ-UHFFFAOYSA-N
XLogP0.22
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500153.22
LogP ≤ 50.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-azatricyclo[4.2.1.03,7]nonan-9-ylmethanol?
The IUPAC name of 4-azatricyclo[4.2.1.03,7]nonan-9-ylmethanol (CID 130059451) is 4-azatricyclo[4.2.1.03,7]nonan-9-ylmethanol.
What is the SMILES notation for 4-azatricyclo[4.2.1.03,7]nonan-9-ylmethanol?
The canonical SMILES for 4-azatricyclo[4.2.1.03,7]nonan-9-ylmethanol is OCC1C2CC3NCC1C3C2.
What is the InChIKey of 4-azatricyclo[4.2.1.03,7]nonan-9-ylmethanol?
The InChIKey is IVYPWVYKYLTMGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15NO/c11-4-8-5-1-6-7(8)3-10-9(6)2-5/h5-11H,1-4H2.
What are the key properties of 4-azatricyclo[4.2.1.03,7]nonan-9-ylmethanol?
4-azatricyclo[4.2.1.03,7]nonan-9-ylmethanol has a molecular weight of 153.22 g/mol, XLogP of 0.22, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-azatricyclo[4.2.1.03,7]nonan-9-ylmethanol is sourced from PubChem (CID 130059451), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).