4-azaspiro[2.5]octan-7-one

C7H11NO — CID 82418847

IUPAC4-azaspiro[2.5]octan-7-one
SMILESO=C1CCNC2(CC2)C1
InChIInChI=1S/C7H11NO/c9-6-1-4-8-7(5-6)2-3-7/h8H,1-5H2
InChIKeyRUDKHYCQERSGGC-UHFFFAOYSA-N
MW125.17 g/mol
LogP0.47
Rot. Bonds

About 4-azaspiro[2.5]octan-7-one

4-azaspiro[2.5]octan-7-one (PubChem CID 82418847) has the molecular formula C7H11NO and a molecular weight of 125.17 g/mol. Its IUPAC name is 4-azaspiro[2.5]octan-7-one.

Molecular Properties

Compound Name4-azaspiro[2.5]octan-7-one
PubChem CID82418847
Molecular FormulaC7H11NO
Molecular Weight125.17 g/mol
Exact Mass125.08
IUPAC Name4-azaspiro[2.5]octan-7-one
SMILESO=C1CCNC2(CC2)C1
InChIInChI=1S/C7H11NO/c9-6-1-4-8-7(5-6)2-3-7/h8H,1-5H2
InChIKeyRUDKHYCQERSGGC-UHFFFAOYSA-N
XLogP0.47
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500125.17
LogP ≤ 50.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-Azaspiro(2.5)octan-7-one hydrochloride
CID 135394030
2-Cyclopropylpiperidin-4-one hydrochloride
CID 115014604
2,2,6-Trimethyl-piperidin-4-one
CID 418942
2,2,5-Trimethyl-4-piperidinone
CID 13794360
2-Cyclopropylpiperidin-4-one
CID 75132311
2,2-Dimethylpiperidin-4-one
CID 20569310
2,2-Dimethylpiperidin-4-one hydrochloride
CID 53407261
5-Azaspiro[3.5]nonan-8-one
CID 55300241
2,2-Diethylpiperidin-4-one
CID 70182099
2-Cyclopropyl-6-methylpiperidin-4-one
CID 82416834
5-Azaspiro[2.5]octan-8-one
CID 82418846
(2S,6S)-2-Cyclopropyl-6-methylpiperidin-4-one
CID 82651695

Frequently Asked Questions

What is the IUPAC name of 4-azaspiro[2.5]octan-7-one?
The IUPAC name of 4-azaspiro[2.5]octan-7-one (CID 82418847) is 4-azaspiro[2.5]octan-7-one.
What is the SMILES notation for 4-azaspiro[2.5]octan-7-one?
The canonical SMILES for 4-azaspiro[2.5]octan-7-one is O=C1CCNC2(CC2)C1.
What is the InChIKey of 4-azaspiro[2.5]octan-7-one?
The InChIKey is RUDKHYCQERSGGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11NO/c9-6-1-4-8-7(5-6)2-3-7/h8H,1-5H2.
What are the key properties of 4-azaspiro[2.5]octan-7-one?
4-azaspiro[2.5]octan-7-one has a molecular weight of 125.17 g/mol, XLogP of 0.47, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-azaspiro[2.5]octan-7-one is sourced from PubChem (CID 82418847), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).