1-azaspiro[4.5]decan-3-one

C9H15NO — CID 67157664

IUPAC1-azaspiro[4.5]decan-3-one
SMILESO=C1CNC2(CCCCC2)C1
InChIInChI=1S/C9H15NO/c11-8-6-9(10-7-8)4-2-1-3-5-9/h10H,1-7H2
InChIKeyITTPCYGLPLVWCJ-UHFFFAOYSA-N
MW153.22 g/mol
LogP1.25
Rot. Bonds

About 1-azaspiro[4.5]decan-3-one

1-azaspiro[4.5]decan-3-one (PubChem CID 67157664) has the molecular formula C9H15NO and a molecular weight of 153.22 g/mol. Its IUPAC name is 1-azaspiro[4.5]decan-3-one.

Molecular Properties

Compound Name1-azaspiro[4.5]decan-3-one
PubChem CID67157664
Molecular FormulaC9H15NO
Molecular Weight153.22 g/mol
Exact Mass153.12
IUPAC Name1-azaspiro[4.5]decan-3-one
SMILESO=C1CNC2(CCCCC2)C1
InChIInChI=1S/C9H15NO/c11-8-6-9(10-7-8)4-2-1-3-5-9/h10H,1-7H2
InChIKeyITTPCYGLPLVWCJ-UHFFFAOYSA-N
XLogP1.25
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 ≤ 51.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-azaspiro[4.5]decan-3-one?
The IUPAC name of 1-azaspiro[4.5]decan-3-one (CID 67157664) is 1-azaspiro[4.5]decan-3-one.
What is the SMILES notation for 1-azaspiro[4.5]decan-3-one?
The canonical SMILES for 1-azaspiro[4.5]decan-3-one is O=C1CNC2(CCCCC2)C1.
What is the InChIKey of 1-azaspiro[4.5]decan-3-one?
The InChIKey is ITTPCYGLPLVWCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15NO/c11-8-6-9(10-7-8)4-2-1-3-5-9/h10H,1-7H2.
What are the key properties of 1-azaspiro[4.5]decan-3-one?
1-azaspiro[4.5]decan-3-one has a molecular weight of 153.22 g/mol, XLogP of 1.25, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-azaspiro[4.5]decan-3-one is sourced from PubChem (CID 67157664), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).