(1S,2S,5S)-2-hydroxy-5-methyl-6-azabicyclo[3.2.1]octan-7-one

C₈H₁₃NO₂ — CID 129413407

About (1S,2S,5S)-2-hydroxy-5-methyl-6-azabicyclo[3.2.1]octan-7-one

(1S,2S,5S)-2-hydroxy-5-methyl-6-azabicyclo[3.2.1]octan-7-one (PubChem CID 129413407) has the molecular formula C₈H₁₃NO₂ and a molecular weight of 155.20 g/mol. Its IUPAC name is (1S,2S,5S)-2-hydroxy-5-methyl-6-azabicyclo[3.2.1]octan-7-one.

Molecular Properties

• Compound Name: (1S,2S,5S)-2-hydroxy-5-methyl-6-azabicyclo[3.2.1]octan-7-one
• PubChem CID: 129413407
• Molecular Formula: C₈H₁₃NO₂
• Molecular Weight: 155.20 g/mol
• Exact Mass: 155.09
• IUPAC Name: (1S,2S,5S)-2-hydroxy-5-methyl-6-azabicyclo[3.2.1]octan-7-one
• SMILES: C[C@]12CC[C@H](O)[C@H](C1)C(=O)N2
• InChI: InChI=1S/C8H13NO2/c1-8-3-2-6(10)5(4-8)7(11)9-8/h5-6,10H,2-4H2,1H3,(H,9,11)/t5-,6-,8-/m0/s1
• InChIKey: XXHUIIKOCGONGK-HAFWLYHUSA-N
• XLogP: 0.04
• TPSA: 49.33 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 2
• Heavy Atoms: 11
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	155.20
LogP ≤ 5	0.04
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	2

Frequently Asked Questions

What is the IUPAC name of (1S,2S,5S)-2-hydroxy-5-methyl-6-azabicyclo[3.2.1]octan-7-one?

The IUPAC name of (1S,2S,5S)-2-hydroxy-5-methyl-6-azabicyclo[3.2.1]octan-7-one (CID 129413407) is (1S,2S,5S)-2-hydroxy-5-methyl-6-azabicyclo[3.2.1]octan-7-one.

What is the SMILES notation for (1S,2S,5S)-2-hydroxy-5-methyl-6-azabicyclo[3.2.1]octan-7-one?

The canonical SMILES for (1S,2S,5S)-2-hydroxy-5-methyl-6-azabicyclo[3.2.1]octan-7-one is C[C@]12CC[C@H](O)[C@H](C1)C(=O)N2.

What is the InChIKey of (1S,2S,5S)-2-hydroxy-5-methyl-6-azabicyclo[3.2.1]octan-7-one?

The InChIKey is XXHUIIKOCGONGK-HAFWLYHUSA-N. The full InChI is InChI=1S/C8H13NO2/c1-8-3-2-6(10)5(4-8)7(11)9-8/h5-6,10H,2-4H2,1H3,(H,9,11)/t5-,6-,8-/m0/s1.

What are the key properties of (1S,2S,5S)-2-hydroxy-5-methyl-6-azabicyclo[3.2.1]octan-7-one?

(1S,2S,5S)-2-hydroxy-5-methyl-6-azabicyclo[3.2.1]octan-7-one has a molecular weight of 155.20 g/mol, XLogP of 0.04, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for (1S,2S,5S)-2-hydroxy-5-methyl-6-azabicyclo[3.2.1]octan-7-one is sourced from PubChem (CID 129413407), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 129413407 — identifiers, structure, computed properties (public domain)

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