(1S,2S,3R,6S,7R)-4-azatricyclo[4.2.1.03,7]nonan-2-ol

C8H13NO — CID 99965251

IUPAC(1S,2S,3R,6S,7R)-4-azatricyclo[4.2.1.03,7]nonan-2-ol
SMILESO[C@H]1[C@H]2C[C@@H]3CN[C@@H]1[C@@H]3C2
InChIInChI=1S/C8H13NO/c10-8-4-1-5-3-9-7(8)6(5)2-4/h4-10H,1-3H2/t4-,5+,6+,7+,8-/m0/s1
InChIKeyWUBFQEYKZRPUHJ-WCMLQCRESA-N
MW139.20 g/mol
LogP-0.02
Rot. Bonds

About (1S,2S,3R,6S,7R)-4-azatricyclo[4.2.1.03,7]nonan-2-ol

(1S,2S,3R,6S,7R)-4-azatricyclo[4.2.1.03,7]nonan-2-ol (PubChem CID 99965251) has the molecular formula C8H13NO and a molecular weight of 139.20 g/mol. Its IUPAC name is (1S,2S,3R,6S,7R)-4-azatricyclo[4.2.1.03,7]nonan-2-ol.

Molecular Properties

Compound Name(1S,2S,3R,6S,7R)-4-azatricyclo[4.2.1.03,7]nonan-2-ol
PubChem CID99965251
Molecular FormulaC8H13NO
Molecular Weight139.20 g/mol
Exact Mass139.10
IUPAC Name(1S,2S,3R,6S,7R)-4-azatricyclo[4.2.1.03,7]nonan-2-ol
SMILESO[C@H]1[C@H]2C[C@@H]3CN[C@@H]1[C@@H]3C2
InChIInChI=1S/C8H13NO/c10-8-4-1-5-3-9-7(8)6(5)2-4/h4-10H,1-3H2/t4-,5+,6+,7+,8-/m0/s1
InChIKeyWUBFQEYKZRPUHJ-WCMLQCRESA-N
XLogP-0.02
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500139.20
LogP ≤ 5-0.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (1S,2S,3R,6S,7R)-4-azatricyclo[4.2.1.03,7]nonan-2-ol?
The IUPAC name of (1S,2S,3R,6S,7R)-4-azatricyclo[4.2.1.03,7]nonan-2-ol (CID 99965251) is (1S,2S,3R,6S,7R)-4-azatricyclo[4.2.1.03,7]nonan-2-ol.
What is the SMILES notation for (1S,2S,3R,6S,7R)-4-azatricyclo[4.2.1.03,7]nonan-2-ol?
The canonical SMILES for (1S,2S,3R,6S,7R)-4-azatricyclo[4.2.1.03,7]nonan-2-ol is O[C@H]1[C@H]2C[C@@H]3CN[C@@H]1[C@@H]3C2.
What is the InChIKey of (1S,2S,3R,6S,7R)-4-azatricyclo[4.2.1.03,7]nonan-2-ol?
The InChIKey is WUBFQEYKZRPUHJ-WCMLQCRESA-N. The full InChI is InChI=1S/C8H13NO/c10-8-4-1-5-3-9-7(8)6(5)2-4/h4-10H,1-3H2/t4-,5+,6+,7+,8-/m0/s1.
What are the key properties of (1S,2S,3R,6S,7R)-4-azatricyclo[4.2.1.03,7]nonan-2-ol?
(1S,2S,3R,6S,7R)-4-azatricyclo[4.2.1.03,7]nonan-2-ol has a molecular weight of 139.20 g/mol, XLogP of -0.02, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,2S,3R,6S,7R)-4-azatricyclo[4.2.1.03,7]nonan-2-ol is sourced from PubChem (CID 99965251), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).