2-azaspiro[4.5]decan-4-one

C9H15NO — CID 21494483

IUPAC2-azaspiro[4.5]decan-4-one
SMILESO=C1CNCC12CCCCC2
InChIInChI=1S/C9H15NO/c11-8-6-10-7-9(8)4-2-1-3-5-9/h10H,1-7H2
InChIKeyKLJNSNIKNXADEK-UHFFFAOYSA-N
MW153.22 g/mol
LogP1.11
Rot. Bonds

About 2-azaspiro[4.5]decan-4-one

2-azaspiro[4.5]decan-4-one (PubChem CID 21494483) has the molecular formula C9H15NO and a molecular weight of 153.22 g/mol. Its IUPAC name is 2-azaspiro[4.5]decan-4-one.

Molecular Properties

Compound Name2-azaspiro[4.5]decan-4-one
PubChem CID21494483
Molecular FormulaC9H15NO
Molecular Weight153.22 g/mol
Exact Mass153.12
IUPAC Name2-azaspiro[4.5]decan-4-one
SMILESO=C1CNCC12CCCCC2
InChIInChI=1S/C9H15NO/c11-8-6-10-7-9(8)4-2-1-3-5-9/h10H,1-7H2
InChIKeyKLJNSNIKNXADEK-UHFFFAOYSA-N
XLogP1.11
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500153.22
LogP ≤ 51.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-Azaspiro[4.5]decan-8-one hydrochloride
CID 127263730
1-Azaspiro[4.5]decan-3-one
CID 67157664
2-Azaspiro[4.5]decan-8-one
CID 68652733
1-Azaspiro[4.5]decan-4-one
CID 13282877
1-Azaspiro[4.5]decan-4-one, hydrochloride
CID 20471602
1-(2-Azaspiro[4.5]decan-3-yl)ethanone
CID 20678652
2-Azaspiro[4.4]nonan-4-one
CID 21494522
2-cyclohexyl-1-[(2S)-pyrrolidin-2-yl]ethanone
CID 59628982
2-cyclohexyl-1-[(2R)-pyrrolidin-2-yl]ethanone
CID 59629009
2-Azaspiro[4.5]decane-3,4-dione
CID 67184048
cyclohexyl-[(3R)-pyrrolidin-3-yl]methanone
CID 67293921
Cyclohexyl(pyrrolidin-3-yl)methanone
CID 67293925

Frequently Asked Questions

What is the IUPAC name of 2-azaspiro[4.5]decan-4-one?
The IUPAC name of 2-azaspiro[4.5]decan-4-one (CID 21494483) is 2-azaspiro[4.5]decan-4-one.
What is the SMILES notation for 2-azaspiro[4.5]decan-4-one?
The canonical SMILES for 2-azaspiro[4.5]decan-4-one is O=C1CNCC12CCCCC2.
What is the InChIKey of 2-azaspiro[4.5]decan-4-one?
The InChIKey is KLJNSNIKNXADEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15NO/c11-8-6-10-7-9(8)4-2-1-3-5-9/h10H,1-7H2.
What are the key properties of 2-azaspiro[4.5]decan-4-one?
2-azaspiro[4.5]decan-4-one has a molecular weight of 153.22 g/mol, XLogP of 1.11, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-azaspiro[4.5]decan-4-one is sourced from PubChem (CID 21494483), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).