1-(2-hydroxy-7-azaspiro[3.5]nonan-7-yl)propan-1-one

C11H19NO2 — CID 129182214

IUPAC1-(2-hydroxy-7-azaspiro[3.5]nonan-7-yl)propan-1-one
SMILESCCC(=O)N1CCC2(CC1)CC(O)C2
InChIInChI=1S/C11H19NO2/c1-2-10(14)12-5-3-11(4-6-12)7-9(13)8-11/h9,13H,2-8H2,1H3
InChIKeyZTGVQSVNPXLYJB-UHFFFAOYSA-N
MW197.28 g/mol
LogP1.16
Rot. Bonds1

About 1-(2-hydroxy-7-azaspiro[3.5]nonan-7-yl)propan-1-one

1-(2-hydroxy-7-azaspiro[3.5]nonan-7-yl)propan-1-one (PubChem CID 129182214) has the molecular formula C11H19NO2 and a molecular weight of 197.28 g/mol. Its IUPAC name is 1-(2-hydroxy-7-azaspiro[3.5]nonan-7-yl)propan-1-one.

Molecular Properties

Compound Name1-(2-hydroxy-7-azaspiro[3.5]nonan-7-yl)propan-1-one
PubChem CID129182214
Molecular FormulaC11H19NO2
Molecular Weight197.28 g/mol
Exact Mass197.14
IUPAC Name1-(2-hydroxy-7-azaspiro[3.5]nonan-7-yl)propan-1-one
SMILESCCC(=O)N1CCC2(CC1)CC(O)C2
InChIInChI=1S/C11H19NO2/c1-2-10(14)12-5-3-11(4-6-12)7-9(13)8-11/h9,13H,2-8H2,1H3
InChIKeyZTGVQSVNPXLYJB-UHFFFAOYSA-N
XLogP1.16
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.28
LogP ≤ 51.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(2-hydroxy-7-azaspiro[3.5]nonan-7-yl)propan-1-one?
The IUPAC name of 1-(2-hydroxy-7-azaspiro[3.5]nonan-7-yl)propan-1-one (CID 129182214) is 1-(2-hydroxy-7-azaspiro[3.5]nonan-7-yl)propan-1-one.
What is the SMILES notation for 1-(2-hydroxy-7-azaspiro[3.5]nonan-7-yl)propan-1-one?
The canonical SMILES for 1-(2-hydroxy-7-azaspiro[3.5]nonan-7-yl)propan-1-one is CCC(=O)N1CCC2(CC1)CC(O)C2.
What is the InChIKey of 1-(2-hydroxy-7-azaspiro[3.5]nonan-7-yl)propan-1-one?
The InChIKey is ZTGVQSVNPXLYJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19NO2/c1-2-10(14)12-5-3-11(4-6-12)7-9(13)8-11/h9,13H,2-8H2,1H3.
What are the key properties of 1-(2-hydroxy-7-azaspiro[3.5]nonan-7-yl)propan-1-one?
1-(2-hydroxy-7-azaspiro[3.5]nonan-7-yl)propan-1-one has a molecular weight of 197.28 g/mol, XLogP of 1.16, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-hydroxy-7-azaspiro[3.5]nonan-7-yl)propan-1-one is sourced from PubChem (CID 129182214), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).