1-(2-hydroxyethyl)-5-methyl-2-azabicyclo[3.3.1]nonan-3-one

C11H19NO2 — CID 130007052

IUPAC1-(2-hydroxyethyl)-5-methyl-2-azabicyclo[3.3.1]nonan-3-one
SMILESCC12CCCC(CCO)(C1)NC(=O)C2
InChIInChI=1S/C11H19NO2/c1-10-3-2-4-11(8-10,5-6-13)12-9(14)7-10/h13H,2-8H2,1H3,(H,12,14)
InChIKeyVYACHFDQGKCRRY-UHFFFAOYSA-N
MW197.28 g/mol
LogP1.21
Rot. Bonds2

About 1-(2-hydroxyethyl)-5-methyl-2-azabicyclo[3.3.1]nonan-3-one

1-(2-hydroxyethyl)-5-methyl-2-azabicyclo[3.3.1]nonan-3-one (PubChem CID 130007052) has the molecular formula C11H19NO2 and a molecular weight of 197.28 g/mol. Its IUPAC name is 1-(2-hydroxyethyl)-5-methyl-2-azabicyclo[3.3.1]nonan-3-one.

Molecular Properties

Compound Name1-(2-hydroxyethyl)-5-methyl-2-azabicyclo[3.3.1]nonan-3-one
PubChem CID130007052
Molecular FormulaC11H19NO2
Molecular Weight197.28 g/mol
Exact Mass197.14
IUPAC Name1-(2-hydroxyethyl)-5-methyl-2-azabicyclo[3.3.1]nonan-3-one
SMILESCC12CCCC(CCO)(C1)NC(=O)C2
InChIInChI=1S/C11H19NO2/c1-10-3-2-4-11(8-10,5-6-13)12-9(14)7-10/h13H,2-8H2,1H3,(H,12,14)
InChIKeyVYACHFDQGKCRRY-UHFFFAOYSA-N
XLogP1.21
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.28
LogP ≤ 51.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 1-(2-hydroxyethyl)-5-methyl-2-azabicyclo[3.3.1]nonan-3-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-(2-hydroxyethyl)-3-methylpyrrolidin-2-one
CID 12682994
4-ethoxy-4-methylazetidin-2-one
CID 141017453
2-(7-methyl-1,4-dioxaspiro[4.5]decan-7-yl)ethanol
CID 121222293
5-methyl-3-oxobicyclo[3.3.1]nonane-1-carbonyl chloride
CID 45081241
4-butyl-4-methylazetidin-2-one
CID 100957433
4-methyl-4-(3-methylbutyl)azetidin-2-one
CID 64666195
(1R,4S,6S)-6-hydroxy-4,6-dimethylbicyclo[2.2.2]octan-2-one
CID 15190336
(2R)-2-(2-hydroxyethyl)-2-methyl-5-propan-2-ylcyclopentan-1-one
CID 71426371
trans-(2S,5S)-2-(2-hydroxyethyl)-2-methyl-5-propan-2-ylcyclopentan-1-one
CID 130909824
S-[(2-methyl-4-oxoazetidin-2-yl)methyl] ethanethioate
CID 155819895
2-(3-hydroxypropyl)-1-oxa-2,8-diazaspiro[4.5]decan-3-one
CID 105467611
4-(methoxymethyl)-4-methylazetidin-2-one
CID 64665365

Frequently Asked Questions

What is the IUPAC name of 1-(2-hydroxyethyl)-5-methyl-2-azabicyclo[3.3.1]nonan-3-one?
The IUPAC name of 1-(2-hydroxyethyl)-5-methyl-2-azabicyclo[3.3.1]nonan-3-one (CID 130007052) is 1-(2-hydroxyethyl)-5-methyl-2-azabicyclo[3.3.1]nonan-3-one.
What is the SMILES notation for 1-(2-hydroxyethyl)-5-methyl-2-azabicyclo[3.3.1]nonan-3-one?
The canonical SMILES for 1-(2-hydroxyethyl)-5-methyl-2-azabicyclo[3.3.1]nonan-3-one is CC12CCCC(CCO)(C1)NC(=O)C2.
What is the InChIKey of 1-(2-hydroxyethyl)-5-methyl-2-azabicyclo[3.3.1]nonan-3-one?
The InChIKey is VYACHFDQGKCRRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19NO2/c1-10-3-2-4-11(8-10,5-6-13)12-9(14)7-10/h13H,2-8H2,1H3,(H,12,14).
What are the key properties of 1-(2-hydroxyethyl)-5-methyl-2-azabicyclo[3.3.1]nonan-3-one?
1-(2-hydroxyethyl)-5-methyl-2-azabicyclo[3.3.1]nonan-3-one has a molecular weight of 197.28 g/mol, XLogP of 1.21, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-hydroxyethyl)-5-methyl-2-azabicyclo[3.3.1]nonan-3-one is sourced from PubChem (CID 130007052), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).