4-(3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl)cyclohexan-1-one

C13H21NO2 — CID 114762226

IUPAC4-(3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl)cyclohexan-1-one
SMILESO=C1CCC(N2C3CCC2CC(O)C3)CC1
InChIInChI=1S/C13H21NO2/c15-12-5-3-9(4-6-12)14-10-1-2-11(14)8-13(16)7-10/h9-11,13,16H,1-8H2
InChIKeyNJAJPZOEHPVMMF-UHFFFAOYSA-N
MW223.32 g/mol
LogP1.49
Rot. Bonds1

About 4-(3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl)cyclohexan-1-one

4-(3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl)cyclohexan-1-one (PubChem CID 114762226) has the molecular formula C13H21NO2 and a molecular weight of 223.32 g/mol. Its IUPAC name is 4-(3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl)cyclohexan-1-one.

Molecular Properties

Compound Name4-(3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl)cyclohexan-1-one
PubChem CID114762226
Molecular FormulaC13H21NO2
Molecular Weight223.32 g/mol
Exact Mass223.16
IUPAC Name4-(3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl)cyclohexan-1-one
SMILESO=C1CCC(N2C3CCC2CC(O)C3)CC1
InChIInChI=1S/C13H21NO2/c15-12-5-3-9(4-6-12)14-10-1-2-11(14)8-13(16)7-10/h9-11,13,16H,1-8H2
InChIKeyNJAJPZOEHPVMMF-UHFFFAOYSA-N
XLogP1.49
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.32
LogP ≤ 51.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl)cyclohexan-1-one?
The IUPAC name of 4-(3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl)cyclohexan-1-one (CID 114762226) is 4-(3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl)cyclohexan-1-one.
What is the SMILES notation for 4-(3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl)cyclohexan-1-one?
The canonical SMILES for 4-(3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl)cyclohexan-1-one is O=C1CCC(N2C3CCC2CC(O)C3)CC1.
What is the InChIKey of 4-(3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl)cyclohexan-1-one?
The InChIKey is NJAJPZOEHPVMMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21NO2/c15-12-5-3-9(4-6-12)14-10-1-2-11(14)8-13(16)7-10/h9-11,13,16H,1-8H2.
What are the key properties of 4-(3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl)cyclohexan-1-one?
4-(3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl)cyclohexan-1-one has a molecular weight of 223.32 g/mol, XLogP of 1.49, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl)cyclohexan-1-one is sourced from PubChem (CID 114762226), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).