2-ethyl-4-azaspiro[2.5]octan-5-one

C9H15NO — CID 11491966

IUPAC2-ethyl-4-azaspiro[2.5]octan-5-one
SMILESCCC1CC12CCCC(=O)N2
InChIInChI=1S/C9H15NO/c1-2-7-6-9(7)5-3-4-8(11)10-9/h7H,2-6H2,1H3,(H,10,11)
InChIKeyPMCZWKJBLIEQHB-UHFFFAOYSA-N
MW153.23 g/mol
LogP1.46
Rot. Bonds1

About 2-ethyl-4-azaspiro[2.5]octan-5-one

2-ethyl-4-azaspiro[2.5]octan-5-one (PubChem CID 11491966) has the molecular formula C9H15NO and a molecular weight of 153.23 g/mol. Its IUPAC name is 2-ethyl-4-azaspiro[2.5]octan-5-one.

Molecular Properties

Compound Name2-ethyl-4-azaspiro[2.5]octan-5-one
PubChem CID11491966
Molecular FormulaC9H15NO
Molecular Weight153.23 g/mol
Exact Mass153.12
IUPAC Name2-ethyl-4-azaspiro[2.5]octan-5-one
SMILESCCC1CC12CCCC(=O)N2
InChIInChI=1S/C9H15NO/c1-2-7-6-9(7)5-3-4-8(11)10-9/h7H,2-6H2,1H3,(H,10,11)
InChIKeyPMCZWKJBLIEQHB-UHFFFAOYSA-N
XLogP1.46
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500153.23
LogP ≤ 51.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-ethyl-4-azaspiro[2.5]octan-5-one?
The IUPAC name of 2-ethyl-4-azaspiro[2.5]octan-5-one (CID 11491966) is 2-ethyl-4-azaspiro[2.5]octan-5-one.
What is the SMILES notation for 2-ethyl-4-azaspiro[2.5]octan-5-one?
The canonical SMILES for 2-ethyl-4-azaspiro[2.5]octan-5-one is CCC1CC12CCCC(=O)N2.
What is the InChIKey of 2-ethyl-4-azaspiro[2.5]octan-5-one?
The InChIKey is PMCZWKJBLIEQHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15NO/c1-2-7-6-9(7)5-3-4-8(11)10-9/h7H,2-6H2,1H3,(H,10,11).
What are the key properties of 2-ethyl-4-azaspiro[2.5]octan-5-one?
2-ethyl-4-azaspiro[2.5]octan-5-one has a molecular weight of 153.23 g/mol, XLogP of 1.46, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-4-azaspiro[2.5]octan-5-one is sourced from PubChem (CID 11491966), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).