2-[(E)-1-cyclobutyl-1-oxopent-2-en-3-yl]-2-azaspiro[4.5]decan-1-one

C18H27NO2 — CID 144882827

IUPAC2-[(E)-1-cyclobutyl-1-oxopent-2-en-3-yl]-2-azaspiro[4.5]decan-1-one
SMILESCC/C(=C\C(=O)C1CCC1)N1CCC2(CCCCC2)C1=O
InChIInChI=1S/C18H27NO2/c1-2-15(13-16(20)14-7-6-8-14)19-12-11-18(17(19)21)9-4-3-5-10-18/h13-14H,2-12H2,1H3/b15-13+
InChIKeyFECWRQBKGGVASZ-FYWRMAATSA-N
MW289.42 g/mol
LogP3.83
Rot. Bonds4

About 2-[(E)-1-cyclobutyl-1-oxopent-2-en-3-yl]-2-azaspiro[4.5]decan-1-one

2-[(E)-1-cyclobutyl-1-oxopent-2-en-3-yl]-2-azaspiro[4.5]decan-1-one (PubChem CID 144882827) has the molecular formula C18H27NO2 and a molecular weight of 289.42 g/mol. Its IUPAC name is 2-[(E)-1-cyclobutyl-1-oxopent-2-en-3-yl]-2-azaspiro[4.5]decan-1-one.

Molecular Properties

Compound Name2-[(E)-1-cyclobutyl-1-oxopent-2-en-3-yl]-2-azaspiro[4.5]decan-1-one
PubChem CID144882827
Molecular FormulaC18H27NO2
Molecular Weight289.42 g/mol
Exact Mass289.20
IUPAC Name2-[(E)-1-cyclobutyl-1-oxopent-2-en-3-yl]-2-azaspiro[4.5]decan-1-one
SMILESCC/C(=C\C(=O)C1CCC1)N1CCC2(CCCCC2)C1=O
InChIInChI=1S/C18H27NO2/c1-2-15(13-16(20)14-7-6-8-14)19-12-11-18(17(19)21)9-4-3-5-10-18/h13-14H,2-12H2,1H3/b15-13+
InChIKeyFECWRQBKGGVASZ-FYWRMAATSA-N
XLogP3.83
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.42
LogP ≤ 53.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

1-Heptyl-3,3a,4,5-tetrahydroindole-2,6-dione
CID 101841397
1-Cyclohexyl-3,3a,4,5-tetrahydroindole-2,6-dione
CID 101841405
2-(2-Methyl-3-oxocyclohexen-1-yl)-2-azaspiro[4.5]decane-1,8-dione
CID 118234496
2-Butyl-2-ethyl-6-(2-methylpropanoyl)-6-azatricyclo[8.5.0.03,7]pentadec-7-en-9-one
CID 123444910
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
8-methyl-2-[(E)-4-methyl-5-oxohex-3-en-3-yl]-2-azaspiro[4.5]decan-1-one
CID 144882937
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-2-methyl-1-oxopent-2-en-3-yl]-8-methyl-2-azaspiro[4.5]decan-1-one
CID 144882816

Frequently Asked Questions

What is the IUPAC name of 2-[(E)-1-cyclobutyl-1-oxopent-2-en-3-yl]-2-azaspiro[4.5]decan-1-one?
The IUPAC name of 2-[(E)-1-cyclobutyl-1-oxopent-2-en-3-yl]-2-azaspiro[4.5]decan-1-one (CID 144882827) is 2-[(E)-1-cyclobutyl-1-oxopent-2-en-3-yl]-2-azaspiro[4.5]decan-1-one.
What is the SMILES notation for 2-[(E)-1-cyclobutyl-1-oxopent-2-en-3-yl]-2-azaspiro[4.5]decan-1-one?
The canonical SMILES for 2-[(E)-1-cyclobutyl-1-oxopent-2-en-3-yl]-2-azaspiro[4.5]decan-1-one is CC/C(=C\C(=O)C1CCC1)N1CCC2(CCCCC2)C1=O.
What is the InChIKey of 2-[(E)-1-cyclobutyl-1-oxopent-2-en-3-yl]-2-azaspiro[4.5]decan-1-one?
The InChIKey is FECWRQBKGGVASZ-FYWRMAATSA-N. The full InChI is InChI=1S/C18H27NO2/c1-2-15(13-16(20)14-7-6-8-14)19-12-11-18(17(19)21)9-4-3-5-10-18/h13-14H,2-12H2,1H3/b15-13+.
What are the key properties of 2-[(E)-1-cyclobutyl-1-oxopent-2-en-3-yl]-2-azaspiro[4.5]decan-1-one?
2-[(E)-1-cyclobutyl-1-oxopent-2-en-3-yl]-2-azaspiro[4.5]decan-1-one has a molecular weight of 289.42 g/mol, XLogP of 3.83, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(E)-1-cyclobutyl-1-oxopent-2-en-3-yl]-2-azaspiro[4.5]decan-1-one is sourced from PubChem (CID 144882827), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).