2-(5-oxo-3-bicyclo[4.2.0]octa-1(6),3,7-trienyl)-2-azaspiro[4.5]decan-1-one

C17H19NO2 — CID 144882843

IUPAC2-(5-oxo-3-bicyclo[4.2.0]octa-1(6),3,7-trienyl)-2-azaspiro[4.5]decan-1-one
SMILESO=C1C=C(N2CCC3(CCCCC3)C2=O)CC2=C1C=C2
InChIInChI=1S/C17H19NO2/c19-15-11-13(10-12-4-5-14(12)15)18-9-8-17(16(18)20)6-2-1-3-7-17/h4-5,11H,1-3,6-10H2
InChIKeyPQGPSLVLQXDLRK-UHFFFAOYSA-N
MW269.34 g/mol
LogP2.89
Rot. Bonds1

About 2-(5-oxo-3-bicyclo[4.2.0]octa-1(6),3,7-trienyl)-2-azaspiro[4.5]decan-1-one

2-(5-oxo-3-bicyclo[4.2.0]octa-1(6),3,7-trienyl)-2-azaspiro[4.5]decan-1-one (PubChem CID 144882843) has the molecular formula C17H19NO2 and a molecular weight of 269.34 g/mol. Its IUPAC name is 2-(5-oxo-3-bicyclo[4.2.0]octa-1(6),3,7-trienyl)-2-azaspiro[4.5]decan-1-one.

Molecular Properties

Compound Name2-(5-oxo-3-bicyclo[4.2.0]octa-1(6),3,7-trienyl)-2-azaspiro[4.5]decan-1-one
PubChem CID144882843
Molecular FormulaC17H19NO2
Molecular Weight269.34 g/mol
Exact Mass269.14
IUPAC Name2-(5-oxo-3-bicyclo[4.2.0]octa-1(6),3,7-trienyl)-2-azaspiro[4.5]decan-1-one
SMILESO=C1C=C(N2CCC3(CCCCC3)C2=O)CC2=C1C=C2
InChIInChI=1S/C17H19NO2/c19-15-11-13(10-12-4-5-14(12)15)18-9-8-17(16(18)20)6-2-1-3-7-17/h4-5,11H,1-3,6-10H2
InChIKeyPQGPSLVLQXDLRK-UHFFFAOYSA-N
XLogP2.89
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.34
LogP ≤ 52.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 2-(5-oxo-3-bicyclo[4.2.0]octa-1(6),3,7-trienyl)-2-azaspiro[4.5]decan-1-one with MolForge

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Related Compounds

1-[4-(Bicyclo[4.2.0]octa-1(6),4-diene-3-carbonyl)cyclohexa-1,3-dien-1-yl]pyrrolidine-2,5-dione
CID 23405172
CID 144882836
CID 144882836
2-[(E)-4-methyl-5-oxohex-3-en-3-yl]-2-azaspiro[4.5]decan-1-one
CID 144882861
Ethane;2-(4-methyl-5-oxo-3-bicyclo[4.1.0]hepta-1(7),3-dienyl)-2-azaspiro[4.5]decan-1-one;hydroiodide
CID 144882933
(5Z,7Z)-30-azahexacyclo[15.14.0.02,13.03,10.018,30.019,27]hentriaconta-1,3,5,7,9,11,17,19(27),28-nonaene-16,31-dione
CID 173686780
CID 144882761
CID 144882761
2-[(E)-1-cyclobutyl-2-methyl-1-oxopent-2-en-3-yl]-2-azaspiro[4.5]decan-1-one
CID 144882775
2-(4-Methyl-5-oxo-3-bicyclo[4.1.0]hepta-1(7),3-dienyl)-2-azaspiro[4.5]decan-1-one
CID 144882804
2-[(E)-1-cyclobutyl-1-oxopent-2-en-3-yl]-2-azaspiro[4.5]decan-1-one
CID 144882827
CID 144882916
CID 144882916

Frequently Asked Questions

What is the IUPAC name of 2-(5-oxo-3-bicyclo[4.2.0]octa-1(6),3,7-trienyl)-2-azaspiro[4.5]decan-1-one?
The IUPAC name of 2-(5-oxo-3-bicyclo[4.2.0]octa-1(6),3,7-trienyl)-2-azaspiro[4.5]decan-1-one (CID 144882843) is 2-(5-oxo-3-bicyclo[4.2.0]octa-1(6),3,7-trienyl)-2-azaspiro[4.5]decan-1-one.
What is the SMILES notation for 2-(5-oxo-3-bicyclo[4.2.0]octa-1(6),3,7-trienyl)-2-azaspiro[4.5]decan-1-one?
The canonical SMILES for 2-(5-oxo-3-bicyclo[4.2.0]octa-1(6),3,7-trienyl)-2-azaspiro[4.5]decan-1-one is O=C1C=C(N2CCC3(CCCCC3)C2=O)CC2=C1C=C2.
What is the InChIKey of 2-(5-oxo-3-bicyclo[4.2.0]octa-1(6),3,7-trienyl)-2-azaspiro[4.5]decan-1-one?
The InChIKey is PQGPSLVLQXDLRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19NO2/c19-15-11-13(10-12-4-5-14(12)15)18-9-8-17(16(18)20)6-2-1-3-7-17/h4-5,11H,1-3,6-10H2.
What are the key properties of 2-(5-oxo-3-bicyclo[4.2.0]octa-1(6),3,7-trienyl)-2-azaspiro[4.5]decan-1-one?
2-(5-oxo-3-bicyclo[4.2.0]octa-1(6),3,7-trienyl)-2-azaspiro[4.5]decan-1-one has a molecular weight of 269.34 g/mol, XLogP of 2.89, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-oxo-3-bicyclo[4.2.0]octa-1(6),3,7-trienyl)-2-azaspiro[4.5]decan-1-one is sourced from PubChem (CID 144882843), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).