1-(6-azaspiro[3.5]nonan-6-yl)-2-hydroxyethanone

C10H17NO2 — CID 130643020

IUPAC1-(6-azaspiro[3.5]nonan-6-yl)-2-hydroxyethanone
SMILESO=C(CO)N1CCCC2(CCC2)C1
InChIInChI=1S/C10H17NO2/c12-7-9(13)11-6-2-5-10(8-11)3-1-4-10/h12H,1-8H2
InChIKeyHJHYMJQELBKEFL-UHFFFAOYSA-N
MW183.25 g/mol
LogP0.77
Rot. Bonds1

About 1-(6-azaspiro[3.5]nonan-6-yl)-2-hydroxyethanone

1-(6-azaspiro[3.5]nonan-6-yl)-2-hydroxyethanone (PubChem CID 130643020) has the molecular formula C10H17NO2 and a molecular weight of 183.25 g/mol. Its IUPAC name is 1-(6-azaspiro[3.5]nonan-6-yl)-2-hydroxyethanone.

Molecular Properties

Compound Name1-(6-azaspiro[3.5]nonan-6-yl)-2-hydroxyethanone
PubChem CID130643020
Molecular FormulaC10H17NO2
Molecular Weight183.25 g/mol
Exact Mass183.13
IUPAC Name1-(6-azaspiro[3.5]nonan-6-yl)-2-hydroxyethanone
SMILESO=C(CO)N1CCCC2(CCC2)C1
InChIInChI=1S/C10H17NO2/c12-7-9(13)11-6-2-5-10(8-11)3-1-4-10/h12H,1-8H2
InChIKeyHJHYMJQELBKEFL-UHFFFAOYSA-N
XLogP0.77
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.25
LogP ≤ 50.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(6-azaspiro[3.5]nonan-6-yl)-2-hydroxyethanone?
The IUPAC name of 1-(6-azaspiro[3.5]nonan-6-yl)-2-hydroxyethanone (CID 130643020) is 1-(6-azaspiro[3.5]nonan-6-yl)-2-hydroxyethanone.
What is the SMILES notation for 1-(6-azaspiro[3.5]nonan-6-yl)-2-hydroxyethanone?
The canonical SMILES for 1-(6-azaspiro[3.5]nonan-6-yl)-2-hydroxyethanone is O=C(CO)N1CCCC2(CCC2)C1.
What is the InChIKey of 1-(6-azaspiro[3.5]nonan-6-yl)-2-hydroxyethanone?
The InChIKey is HJHYMJQELBKEFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17NO2/c12-7-9(13)11-6-2-5-10(8-11)3-1-4-10/h12H,1-8H2.
What are the key properties of 1-(6-azaspiro[3.5]nonan-6-yl)-2-hydroxyethanone?
1-(6-azaspiro[3.5]nonan-6-yl)-2-hydroxyethanone has a molecular weight of 183.25 g/mol, XLogP of 0.77, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(6-azaspiro[3.5]nonan-6-yl)-2-hydroxyethanone is sourced from PubChem (CID 130643020), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).