1-azaspiro[2.5]octan-6-one

C7H11NO — CID 141436270

IUPAC1-azaspiro[2.5]octan-6-one
SMILESO=C1CCC2(CC1)CN2
InChIInChI=1S/C7H11NO/c9-6-1-3-7(4-2-6)5-8-7/h8H,1-5H2
InChIKeyLHTZPKOAXOBCQC-UHFFFAOYSA-N
MW125.17 g/mol
LogP0.47
Rot. Bonds

About 1-azaspiro[2.5]octan-6-one

1-azaspiro[2.5]octan-6-one (PubChem CID 141436270) has the molecular formula C7H11NO and a molecular weight of 125.17 g/mol. Its IUPAC name is 1-azaspiro[2.5]octan-6-one.

Molecular Properties

Compound Name1-azaspiro[2.5]octan-6-one
PubChem CID141436270
Molecular FormulaC7H11NO
Molecular Weight125.17 g/mol
Exact Mass125.08
IUPAC Name1-azaspiro[2.5]octan-6-one
SMILESO=C1CCC2(CC1)CN2
InChIInChI=1S/C7H11NO/c9-6-1-3-7(4-2-6)5-8-7/h8H,1-5H2
InChIKeyLHTZPKOAXOBCQC-UHFFFAOYSA-N
XLogP0.47
TPSA39.01 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

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'}

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Related Compounds

9-oxa-1-azaspiro[5.5]undecan-3-one
CID 155894731
1-azaspiro[2.5]octane-4,6-dione
CID 175887547
4,4,7,7-tetramethylcyclononan-1-one
CID 21241719
spiro[3.5]nonane-2,7-dione
CID 130028978
4-azaspiro[2.5]octan-7-one
CID 82418847
2,6-diazaspiro[4.5]decan-9-one
CID 115011980
1,3-diazaspiro[4.5]decane-2,4,8-trione
CID 66728930
2-oxo-1-aza-2-azoniaspiro[4.4]nonan-8-one
CID 22158811
1,4-dioxaspiro[4.5]decan-8-one
CID 567415
4-oxocyclohexane-1,1-dicarbonitrile
CID 57429298
1-methoxy-2,2,8,8-tetramethylazocan-5-one
CID 122680753
4-hydroxy-4-(2-methylprop-1-enyl)cyclohexan-1-one
CID 79189483

Frequently Asked Questions

What is the IUPAC name of 1-azaspiro[2.5]octan-6-one?
The IUPAC name of 1-azaspiro[2.5]octan-6-one (CID 141436270) is 1-azaspiro[2.5]octan-6-one.
What is the SMILES notation for 1-azaspiro[2.5]octan-6-one?
The canonical SMILES for 1-azaspiro[2.5]octan-6-one is O=C1CCC2(CC1)CN2.
What is the InChIKey of 1-azaspiro[2.5]octan-6-one?
The InChIKey is LHTZPKOAXOBCQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11NO/c9-6-1-3-7(4-2-6)5-8-7/h8H,1-5H2.
What are the key properties of 1-azaspiro[2.5]octan-6-one?
1-azaspiro[2.5]octan-6-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 1-azaspiro[2.5]octan-6-one is sourced from PubChem (CID 141436270), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).