1-(7-azaspiro[3.5]nonan-7-yl)ethanone

C10H17NO — CID 58117133

IUPAC1-(7-azaspiro[3.5]nonan-7-yl)ethanone
SMILESCC(=O)N1CCC2(CCC2)CC1
InChIInChI=1S/C10H17NO/c1-9(12)11-7-5-10(6-8-11)3-2-4-10/h2-8H2,1H3
InChIKeyFJKBJCQNBRQFNR-UHFFFAOYSA-N
MW167.25 g/mol
LogP1.80
Rot. Bonds

About 1-(7-azaspiro[3.5]nonan-7-yl)ethanone

1-(7-azaspiro[3.5]nonan-7-yl)ethanone (PubChem CID 58117133) has the molecular formula C10H17NO and a molecular weight of 167.25 g/mol. Its IUPAC name is 1-(7-azaspiro[3.5]nonan-7-yl)ethanone.

Molecular Properties

Compound Name1-(7-azaspiro[3.5]nonan-7-yl)ethanone
PubChem CID58117133
Molecular FormulaC10H17NO
Molecular Weight167.25 g/mol
Exact Mass167.13
IUPAC Name1-(7-azaspiro[3.5]nonan-7-yl)ethanone
SMILESCC(=O)N1CCC2(CCC2)CC1
InChIInChI=1S/C10H17NO/c1-9(12)11-7-5-10(6-8-11)3-2-4-10/h2-8H2,1H3
InChIKeyFJKBJCQNBRQFNR-UHFFFAOYSA-N
XLogP1.80
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.25
LogP ≤ 51.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-(7-azaspiro[3.5]nonan-7-yl)ethanone?
The IUPAC name of 1-(7-azaspiro[3.5]nonan-7-yl)ethanone (CID 58117133) is 1-(7-azaspiro[3.5]nonan-7-yl)ethanone.
What is the SMILES notation for 1-(7-azaspiro[3.5]nonan-7-yl)ethanone?
The canonical SMILES for 1-(7-azaspiro[3.5]nonan-7-yl)ethanone is CC(=O)N1CCC2(CCC2)CC1.
What is the InChIKey of 1-(7-azaspiro[3.5]nonan-7-yl)ethanone?
The InChIKey is FJKBJCQNBRQFNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17NO/c1-9(12)11-7-5-10(6-8-11)3-2-4-10/h2-8H2,1H3.
What are the key properties of 1-(7-azaspiro[3.5]nonan-7-yl)ethanone?
1-(7-azaspiro[3.5]nonan-7-yl)ethanone has a molecular weight of 167.25 g/mol, XLogP of 1.80, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(7-azaspiro[3.5]nonan-7-yl)ethanone is sourced from PubChem (CID 58117133), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).