1-(2,7-diazaspiro[4.4]nonan-2-yl)ethanone

C9H16N2O — CID 75357359

IUPAC1-(2,7-diazaspiro[4.4]nonan-2-yl)ethanone
SMILESCC(=O)N1CCC2(CCNC2)C1
InChIInChI=1S/C9H16N2O/c1-8(12)11-5-3-9(7-11)2-4-10-6-9/h10H,2-7H2,1H3
InChIKeyWBDYIJIPWFTKQF-UHFFFAOYSA-N
MW168.24 g/mol
LogP0.22
Rot. Bonds

About 1-(2,7-diazaspiro[4.4]nonan-2-yl)ethanone

1-(2,7-diazaspiro[4.4]nonan-2-yl)ethanone (PubChem CID 75357359) has the molecular formula C9H16N2O and a molecular weight of 168.24 g/mol. Its IUPAC name is 1-(2,7-diazaspiro[4.4]nonan-2-yl)ethanone.

Molecular Properties

Compound Name1-(2,7-diazaspiro[4.4]nonan-2-yl)ethanone
PubChem CID75357359
Molecular FormulaC9H16N2O
Molecular Weight168.24 g/mol
Exact Mass168.13
IUPAC Name1-(2,7-diazaspiro[4.4]nonan-2-yl)ethanone
SMILESCC(=O)N1CCC2(CCNC2)C1
InChIInChI=1S/C9H16N2O/c1-8(12)11-5-3-9(7-11)2-4-10-6-9/h10H,2-7H2,1H3
InChIKeyWBDYIJIPWFTKQF-UHFFFAOYSA-N
XLogP0.22
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.24
LogP ≤ 50.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(2,7-diazaspiro[4.4]nonan-2-yl)ethanone?
The IUPAC name of 1-(2,7-diazaspiro[4.4]nonan-2-yl)ethanone (CID 75357359) is 1-(2,7-diazaspiro[4.4]nonan-2-yl)ethanone.
What is the SMILES notation for 1-(2,7-diazaspiro[4.4]nonan-2-yl)ethanone?
The canonical SMILES for 1-(2,7-diazaspiro[4.4]nonan-2-yl)ethanone is CC(=O)N1CCC2(CCNC2)C1.
What is the InChIKey of 1-(2,7-diazaspiro[4.4]nonan-2-yl)ethanone?
The InChIKey is WBDYIJIPWFTKQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N2O/c1-8(12)11-5-3-9(7-11)2-4-10-6-9/h10H,2-7H2,1H3.
What are the key properties of 1-(2,7-diazaspiro[4.4]nonan-2-yl)ethanone?
1-(2,7-diazaspiro[4.4]nonan-2-yl)ethanone has a molecular weight of 168.24 g/mol, XLogP of 0.22, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,7-diazaspiro[4.4]nonan-2-yl)ethanone is sourced from PubChem (CID 75357359), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).