1-(9-azabicyclo[4.2.1]non-2-en-2-yl)-2-hydroxyethanone

C10H15NO2 — CID 14565284

IUPAC1-(9-azabicyclo[4.2.1]non-2-en-2-yl)-2-hydroxyethanone
SMILESO=C(CO)C1=CCCC2CCC1N2
InChIInChI=1S/C10H15NO2/c12-6-10(13)8-3-1-2-7-4-5-9(8)11-7/h3,7,9,11-12H,1-2,4-6H2
InChIKeyALELDTRZOVUJPM-UHFFFAOYSA-N
MW181.23 g/mol
LogP0.39
Rot. Bonds2

About 1-(9-azabicyclo[4.2.1]non-2-en-2-yl)-2-hydroxyethanone

1-(9-azabicyclo[4.2.1]non-2-en-2-yl)-2-hydroxyethanone (PubChem CID 14565284) has the molecular formula C10H15NO2 and a molecular weight of 181.23 g/mol. Its IUPAC name is 1-(9-azabicyclo[4.2.1]non-2-en-2-yl)-2-hydroxyethanone.

Molecular Properties

Compound Name1-(9-azabicyclo[4.2.1]non-2-en-2-yl)-2-hydroxyethanone
PubChem CID14565284
Molecular FormulaC10H15NO2
Molecular Weight181.23 g/mol
Exact Mass181.11
IUPAC Name1-(9-azabicyclo[4.2.1]non-2-en-2-yl)-2-hydroxyethanone
SMILESO=C(CO)C1=CCCC2CCC1N2
InChIInChI=1S/C10H15NO2/c12-6-10(13)8-3-1-2-7-4-5-9(8)11-7/h3,7,9,11-12H,1-2,4-6H2
InChIKeyALELDTRZOVUJPM-UHFFFAOYSA-N
XLogP0.39
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.23
LogP ≤ 50.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 1-(9-azabicyclo[4.2.1]non-2-en-2-yl)-2-hydroxyethanone 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

1-(9-azabicyclo[4.2.1]non-2-en-2-yl)ethanone;2,2,2-trifluoroacetic acid;hydrochloride
CID 21122034
but-2-enedioic acid;N,N-dimethyl-9-azabicyclo[4.2.1]non-2-ene-2-carboxamide
CID 53447316
2-[(E)-1-[(6S)-9-azabicyclo[4.2.1]non-2-en-2-yl]ethylideneamino]oxy-N-phosphanylacetamide
CID 153425572
(1R,5S)-N,N-dimethyl-8-azabicyclo[3.2.1]oct-2-ene-2-carboxamide
CID 11116651
5-(9-azabicyclo[4.2.1]non-2-en-2-yl)pyridin-1-ium-2-ol
CID 101237770
(1R,6R)-2-(2-chloropyrimidin-5-yl)-9-azabicyclo[4.2.1]non-2-ene
CID 10889890
(1R,6R)-2-pyridin-2-yl-9-azabicyclo[4.2.1]non-2-ene
CID 11074415
5-[(1R,6R)-9-azabicyclo[4.2.1]non-2-en-2-yl]-3-ethyl-1,2-oxazole
CID 53483935
2-(2-pyridin-2-ylethenyl)-9-azabicyclo[4.2.1]non-2-ene
CID 70182870
cyclohexyl-(5-hydroxycyclopenten-1-yl)methanone
CID 13113761
2-(8-azabicyclo[3.2.1]octan-3-yl)-1-(4-fluorophenyl)ethanone
CID 116588289
1-(6-methyl-1,2,3,6-tetrahydropyridin-5-yl)propan-1-one
CID 91609628

Frequently Asked Questions

What is the IUPAC name of 1-(9-azabicyclo[4.2.1]non-2-en-2-yl)-2-hydroxyethanone?
The IUPAC name of 1-(9-azabicyclo[4.2.1]non-2-en-2-yl)-2-hydroxyethanone (CID 14565284) is 1-(9-azabicyclo[4.2.1]non-2-en-2-yl)-2-hydroxyethanone.
What is the SMILES notation for 1-(9-azabicyclo[4.2.1]non-2-en-2-yl)-2-hydroxyethanone?
The canonical SMILES for 1-(9-azabicyclo[4.2.1]non-2-en-2-yl)-2-hydroxyethanone is O=C(CO)C1=CCCC2CCC1N2.
What is the InChIKey of 1-(9-azabicyclo[4.2.1]non-2-en-2-yl)-2-hydroxyethanone?
The InChIKey is ALELDTRZOVUJPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15NO2/c12-6-10(13)8-3-1-2-7-4-5-9(8)11-7/h3,7,9,11-12H,1-2,4-6H2.
What are the key properties of 1-(9-azabicyclo[4.2.1]non-2-en-2-yl)-2-hydroxyethanone?
1-(9-azabicyclo[4.2.1]non-2-en-2-yl)-2-hydroxyethanone has a molecular weight of 181.23 g/mol, XLogP of 0.39, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(9-azabicyclo[4.2.1]non-2-en-2-yl)-2-hydroxyethanone is sourced from PubChem (CID 14565284), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).