5-(2-azaspiro[3.3]heptan-2-yl)pentan-2-one

C11H19NO — CID 167476884

IUPAC5-(2-azaspiro[3.3]heptan-2-yl)pentan-2-one
SMILESCC(=O)CCCN1CC2(CCC2)C1
InChIInChI=1S/C11H19NO/c1-10(13)4-2-7-12-8-11(9-12)5-3-6-11/h2-9H2,1H3
InChIKeyFBLLLACZACZLLM-UHFFFAOYSA-N
MW181.28 g/mol
LogP1.84
Rot. Bonds4

About 5-(2-azaspiro[3.3]heptan-2-yl)pentan-2-one

5-(2-azaspiro[3.3]heptan-2-yl)pentan-2-one (PubChem CID 167476884) has the molecular formula C11H19NO and a molecular weight of 181.28 g/mol. Its IUPAC name is 5-(2-azaspiro[3.3]heptan-2-yl)pentan-2-one.

Molecular Properties

Compound Name5-(2-azaspiro[3.3]heptan-2-yl)pentan-2-one
PubChem CID167476884
Molecular FormulaC11H19NO
Molecular Weight181.28 g/mol
Exact Mass181.15
IUPAC Name5-(2-azaspiro[3.3]heptan-2-yl)pentan-2-one
SMILESCC(=O)CCCN1CC2(CCC2)C1
InChIInChI=1S/C11H19NO/c1-10(13)4-2-7-12-8-11(9-12)5-3-6-11/h2-9H2,1H3
InChIKeyFBLLLACZACZLLM-UHFFFAOYSA-N
XLogP1.84
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.28
LogP ≤ 51.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-(2-azaspiro[3.3]heptan-2-yl)pentan-2-one?
The IUPAC name of 5-(2-azaspiro[3.3]heptan-2-yl)pentan-2-one (CID 167476884) is 5-(2-azaspiro[3.3]heptan-2-yl)pentan-2-one.
What is the SMILES notation for 5-(2-azaspiro[3.3]heptan-2-yl)pentan-2-one?
The canonical SMILES for 5-(2-azaspiro[3.3]heptan-2-yl)pentan-2-one is CC(=O)CCCN1CC2(CCC2)C1.
What is the InChIKey of 5-(2-azaspiro[3.3]heptan-2-yl)pentan-2-one?
The InChIKey is FBLLLACZACZLLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19NO/c1-10(13)4-2-7-12-8-11(9-12)5-3-6-11/h2-9H2,1H3.
What are the key properties of 5-(2-azaspiro[3.3]heptan-2-yl)pentan-2-one?
5-(2-azaspiro[3.3]heptan-2-yl)pentan-2-one has a molecular weight of 181.28 g/mol, XLogP of 1.84, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-azaspiro[3.3]heptan-2-yl)pentan-2-one is sourced from PubChem (CID 167476884), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).