[(1S,3S,6S,7R,9S)-4-azatricyclo[4.2.1.03,7]nonan-9-yl]methanol

C9H15NO — CID 163342907

IUPAC[(1S,3S,6S,7R,9S)-4-azatricyclo[4.2.1.03,7]nonan-9-yl]methanol
SMILESOC[C@H]1[C@H]2C[C@@H]3[C@@H]1CN[C@H]3C2
InChIInChI=1S/C9H15NO/c11-4-8-5-1-6-7(8)3-10-9(6)2-5/h5-11H,1-4H2/t5-,6+,7-,8-,9-/m0/s1
InChIKeyIVYPWVYKYLTMGJ-BGKGJTHRSA-N
MW153.22 g/mol
LogP0.22
Rot. Bonds1

About [(1S,3S,6S,7R,9S)-4-azatricyclo[4.2.1.03,7]nonan-9-yl]methanol

[(1S,3S,6S,7R,9S)-4-azatricyclo[4.2.1.03,7]nonan-9-yl]methanol (PubChem CID 163342907) has the molecular formula C9H15NO and a molecular weight of 153.22 g/mol. Its IUPAC name is [(1S,3S,6S,7R,9S)-4-azatricyclo[4.2.1.03,7]nonan-9-yl]methanol.

Molecular Properties

Compound Name[(1S,3S,6S,7R,9S)-4-azatricyclo[4.2.1.03,7]nonan-9-yl]methanol
PubChem CID163342907
Molecular FormulaC9H15NO
Molecular Weight153.22 g/mol
Exact Mass153.12
IUPAC Name[(1S,3S,6S,7R,9S)-4-azatricyclo[4.2.1.03,7]nonan-9-yl]methanol
SMILESOC[C@H]1[C@H]2C[C@@H]3[C@@H]1CN[C@H]3C2
InChIInChI=1S/C9H15NO/c11-4-8-5-1-6-7(8)3-10-9(6)2-5/h5-11H,1-4H2/t5-,6+,7-,8-,9-/m0/s1
InChIKeyIVYPWVYKYLTMGJ-BGKGJTHRSA-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 [(1S,3S,6S,7R,9S)-4-azatricyclo[4.2.1.03,7]nonan-9-yl]methanol?
The IUPAC name of [(1S,3S,6S,7R,9S)-4-azatricyclo[4.2.1.03,7]nonan-9-yl]methanol (CID 163342907) is [(1S,3S,6S,7R,9S)-4-azatricyclo[4.2.1.03,7]nonan-9-yl]methanol.
What is the SMILES notation for [(1S,3S,6S,7R,9S)-4-azatricyclo[4.2.1.03,7]nonan-9-yl]methanol?
The canonical SMILES for [(1S,3S,6S,7R,9S)-4-azatricyclo[4.2.1.03,7]nonan-9-yl]methanol is OC[C@H]1[C@H]2C[C@@H]3[C@@H]1CN[C@H]3C2.
What is the InChIKey of [(1S,3S,6S,7R,9S)-4-azatricyclo[4.2.1.03,7]nonan-9-yl]methanol?
The InChIKey is IVYPWVYKYLTMGJ-BGKGJTHRSA-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/t5-,6+,7-,8-,9-/m0/s1.
What are the key properties of [(1S,3S,6S,7R,9S)-4-azatricyclo[4.2.1.03,7]nonan-9-yl]methanol?
[(1S,3S,6S,7R,9S)-4-azatricyclo[4.2.1.03,7]nonan-9-yl]methanol 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 [(1S,3S,6S,7R,9S)-4-azatricyclo[4.2.1.03,7]nonan-9-yl]methanol is sourced from PubChem (CID 163342907), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).