4-(8-azaspiro[4.5]decan-8-yl)butan-2-one

C13H23NO — CID 63158919

IUPAC4-(8-azaspiro[4.5]decan-8-yl)butan-2-one
SMILESCC(=O)CCN1CCC2(CCCC2)CC1
InChIInChI=1S/C13H23NO/c1-12(15)4-9-14-10-7-13(8-11-14)5-2-3-6-13/h2-11H2,1H3
InChIKeyQMLBMDSVWXJGGF-UHFFFAOYSA-N
MW209.33 g/mol
LogP2.62
Rot. Bonds3

About 4-(8-azaspiro[4.5]decan-8-yl)butan-2-one

4-(8-azaspiro[4.5]decan-8-yl)butan-2-one (PubChem CID 63158919) has the molecular formula C13H23NO and a molecular weight of 209.33 g/mol. Its IUPAC name is 4-(8-azaspiro[4.5]decan-8-yl)butan-2-one.

Molecular Properties

Compound Name4-(8-azaspiro[4.5]decan-8-yl)butan-2-one
PubChem CID63158919
Molecular FormulaC13H23NO
Molecular Weight209.33 g/mol
Exact Mass209.18
IUPAC Name4-(8-azaspiro[4.5]decan-8-yl)butan-2-one
SMILESCC(=O)CCN1CCC2(CCCC2)CC1
InChIInChI=1S/C13H23NO/c1-12(15)4-9-14-10-7-13(8-11-14)5-2-3-6-13/h2-11H2,1H3
InChIKeyQMLBMDSVWXJGGF-UHFFFAOYSA-N
XLogP2.62
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.33
LogP ≤ 52.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-(8-azaspiro[4.5]decan-8-yl)propan-2-one
CID 63158473
3-(7-azaspiro[3.5]nonan-7-yl)propanoic acid
CID 126990330
4-(4-hydroxy-4-methylazepan-1-yl)butan-2-one
CID 107405316
3-(8-azaspiro[4.5]decan-8-yl)-1-phenylpropan-1-one
CID 63160113
4-(4-ethylpiperazin-1-yl)butan-2-one
CID 20802873
3-(8-azaspiro[4.5]decan-8-yl)-1-(2-methylphenyl)propan-1-one
CID 63159990
4-(4-methyl-1,4-diazepan-1-yl)butan-2-one
CID 28830199
1-(9-methyl-3,9-diazaspiro[5.5]undecan-3-yl)propan-2-one
CID 172604347
4-(8-azaspiro[4.5]decan-8-yl)-3,3-dimethylbutan-2-one
CID 66452950
3-(2-azaspiro[4.5]decan-2-yl)propanoic acid
CID 119138157
5-(4,4-dimethylazepan-1-yl)pentan-2-one
CID 65282476
3-(3-azaspiro[5.5]undecan-3-yl)-N-(2-cyanoethyl)-N-methylpropanamide
CID 62937400

Frequently Asked Questions

What is the IUPAC name of 4-(8-azaspiro[4.5]decan-8-yl)butan-2-one?
The IUPAC name of 4-(8-azaspiro[4.5]decan-8-yl)butan-2-one (CID 63158919) is 4-(8-azaspiro[4.5]decan-8-yl)butan-2-one.
What is the SMILES notation for 4-(8-azaspiro[4.5]decan-8-yl)butan-2-one?
The canonical SMILES for 4-(8-azaspiro[4.5]decan-8-yl)butan-2-one is CC(=O)CCN1CCC2(CCCC2)CC1.
What is the InChIKey of 4-(8-azaspiro[4.5]decan-8-yl)butan-2-one?
The InChIKey is QMLBMDSVWXJGGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23NO/c1-12(15)4-9-14-10-7-13(8-11-14)5-2-3-6-13/h2-11H2,1H3.
What are the key properties of 4-(8-azaspiro[4.5]decan-8-yl)butan-2-one?
4-(8-azaspiro[4.5]decan-8-yl)butan-2-one has a molecular weight of 209.33 g/mol, XLogP of 2.62, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(8-azaspiro[4.5]decan-8-yl)butan-2-one is sourced from PubChem (CID 63158919), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).