2-(3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl)-N-methylacetamide

C10H18N2O2 — CID 63768000

IUPAC2-(3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl)-N-methylacetamide
SMILESCNC(=O)CN1C2CCC1CC(O)C2
InChIInChI=1S/C10H18N2O2/c1-11-10(14)6-12-7-2-3-8(12)5-9(13)4-7/h7-9,13H,2-6H2,1H3,(H,11,14)
InChIKeyKYJOQAXYSULCCZ-UHFFFAOYSA-N
MW198.27 g/mol
LogP-0.28
Rot. Bonds2

About 2-(3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl)-N-methylacetamide

2-(3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl)-N-methylacetamide (PubChem CID 63768000) has the molecular formula C10H18N2O2 and a molecular weight of 198.27 g/mol. Its IUPAC name is 2-(3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl)-N-methylacetamide.

Molecular Properties

Compound Name2-(3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl)-N-methylacetamide
PubChem CID63768000
Molecular FormulaC10H18N2O2
Molecular Weight198.27 g/mol
Exact Mass198.14
IUPAC Name2-(3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl)-N-methylacetamide
SMILESCNC(=O)CN1C2CCC1CC(O)C2
InChIInChI=1S/C10H18N2O2/c1-11-10(14)6-12-7-2-3-8(12)5-9(13)4-7/h7-9,13H,2-6H2,1H3,(H,11,14)
InChIKeyKYJOQAXYSULCCZ-UHFFFAOYSA-N
XLogP-0.28
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.27
LogP ≤ 5-0.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl)-N-methylacetamide?
The IUPAC name of 2-(3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl)-N-methylacetamide (CID 63768000) is 2-(3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl)-N-methylacetamide.
What is the SMILES notation for 2-(3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl)-N-methylacetamide?
The canonical SMILES for 2-(3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl)-N-methylacetamide is CNC(=O)CN1C2CCC1CC(O)C2.
What is the InChIKey of 2-(3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl)-N-methylacetamide?
The InChIKey is KYJOQAXYSULCCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N2O2/c1-11-10(14)6-12-7-2-3-8(12)5-9(13)4-7/h7-9,13H,2-6H2,1H3,(H,11,14).
What are the key properties of 2-(3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl)-N-methylacetamide?
2-(3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl)-N-methylacetamide has a molecular weight of 198.27 g/mol, XLogP of -0.28, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl)-N-methylacetamide is sourced from PubChem (CID 63768000), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).