9-amino-3-oxabicyclo[3.3.1]nonan-7-ol

C8H15NO2 — CID 115012270

IUPAC9-amino-3-oxabicyclo[3.3.1]nonan-7-ol
SMILESNC1C2COCC1CC(O)C2
InChIInChI=1S/C8H15NO2/c9-8-5-1-7(10)2-6(8)4-11-3-5/h5-8,10H,1-4,9H2
InChIKeyQIGWVTHSZMMGMC-UHFFFAOYSA-N
MW157.21 g/mol
LogP-0.27
Rot. Bonds

About 9-amino-3-oxabicyclo[3.3.1]nonan-7-ol

9-amino-3-oxabicyclo[3.3.1]nonan-7-ol (PubChem CID 115012270) has the molecular formula C8H15NO2 and a molecular weight of 157.21 g/mol. Its IUPAC name is 9-amino-3-oxabicyclo[3.3.1]nonan-7-ol.

Molecular Properties

Compound Name9-amino-3-oxabicyclo[3.3.1]nonan-7-ol
PubChem CID115012270
Molecular FormulaC8H15NO2
Molecular Weight157.21 g/mol
Exact Mass157.11
IUPAC Name9-amino-3-oxabicyclo[3.3.1]nonan-7-ol
SMILESNC1C2COCC1CC(O)C2
InChIInChI=1S/C8H15NO2/c9-8-5-1-7(10)2-6(8)4-11-3-5/h5-8,10H,1-4,9H2
InChIKeyQIGWVTHSZMMGMC-UHFFFAOYSA-N
XLogP-0.27
TPSA55.48 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500157.21
LogP ≤ 5-0.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

9-(aminomethyl)-3-oxabicyclo[3.3.1]nonan-7-ol
CID 115013879
(1R,5S)-7-methoxy-3-oxabicyclo[3.3.1]nonan-9-amine
CID 130755410
3-(3-aminocyclobutyl)cyclobutan-1-ol
CID 147350454
9-amino-3-methyl-3-azabicyclo[3.3.1]nonan-7-ol
CID 115013780
3-oxabicyclo[3.1.0]hexan-6-amine
CID 52988031
ethane;3-oxabicyclo[3.1.0]hexane
CID 177000090
cyclobutane-1,3-diol
CID 175518786
3-methyloxetane;oxetan-3-ol
CID 159981362
5-aminocyclohexane-1,3-diol;hydrochloride
CID 172581218
(2R,3aR,3bS,5S,6aR,7aS)-2,3,3a,3b,4,5,6,6a,7,7a-decahydro-1H-cyclopenta[a]pentalene-2,5-diol
CID 15363007
tricyclo[5.3.1.04,11]undecan-9-ol
CID 12869779
5-(1,3,3a,4,5,6,7,7a-octahydro-2-benzofuran-5-yl)-1,3,3a,4,5,6,7,7a-octahydro-2-benzofuran
CID 143811684

Frequently Asked Questions

What is the IUPAC name of 9-amino-3-oxabicyclo[3.3.1]nonan-7-ol?
The IUPAC name of 9-amino-3-oxabicyclo[3.3.1]nonan-7-ol (CID 115012270) is 9-amino-3-oxabicyclo[3.3.1]nonan-7-ol.
What is the SMILES notation for 9-amino-3-oxabicyclo[3.3.1]nonan-7-ol?
The canonical SMILES for 9-amino-3-oxabicyclo[3.3.1]nonan-7-ol is NC1C2COCC1CC(O)C2.
What is the InChIKey of 9-amino-3-oxabicyclo[3.3.1]nonan-7-ol?
The InChIKey is QIGWVTHSZMMGMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15NO2/c9-8-5-1-7(10)2-6(8)4-11-3-5/h5-8,10H,1-4,9H2.
What are the key properties of 9-amino-3-oxabicyclo[3.3.1]nonan-7-ol?
9-amino-3-oxabicyclo[3.3.1]nonan-7-ol has a molecular weight of 157.21 g/mol, XLogP of -0.27, 0 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 9-amino-3-oxabicyclo[3.3.1]nonan-7-ol is sourced from PubChem (CID 115012270), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).