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

C19H29NO2 — CID 144882775

IUPAC2-[(E)-1-cyclobutyl-2-methyl-1-oxopent-2-en-3-yl]-2-azaspiro[4.5]decan-1-one
SMILESCC/C(=C(/C)C(=O)C1CCC1)N1CCC2(CCCCC2)C1=O
InChIInChI=1S/C19H29NO2/c1-3-16(14(2)17(21)15-8-7-9-15)20-13-12-19(18(20)22)10-5-4-6-11-19/h15H,3-13H2,1-2H3/b16-14+
InChIKeyVTYBYJDRINWLQP-JQIJEIRASA-N
MW303.45 g/mol
LogP4.22
Rot. Bonds4

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

2-[(E)-1-cyclobutyl-2-methyl-1-oxopent-2-en-3-yl]-2-azaspiro[4.5]decan-1-one (PubChem CID 144882775) has the molecular formula C19H29NO2 and a molecular weight of 303.45 g/mol. Its IUPAC name is 2-[(E)-1-cyclobutyl-2-methyl-1-oxopent-2-en-3-yl]-2-azaspiro[4.5]decan-1-one.

Molecular Properties

Compound Name2-[(E)-1-cyclobutyl-2-methyl-1-oxopent-2-en-3-yl]-2-azaspiro[4.5]decan-1-one
PubChem CID144882775
Molecular FormulaC19H29NO2
Molecular Weight303.45 g/mol
Exact Mass303.22
IUPAC Name2-[(E)-1-cyclobutyl-2-methyl-1-oxopent-2-en-3-yl]-2-azaspiro[4.5]decan-1-one
SMILESCC/C(=C(/C)C(=O)C1CCC1)N1CCC2(CCCCC2)C1=O
InChIInChI=1S/C19H29NO2/c1-3-16(14(2)17(21)15-8-7-9-15)20-13-12-19(18(20)22)10-5-4-6-11-19/h15H,3-13H2,1-2H3/b16-14+
InChIKeyVTYBYJDRINWLQP-JQIJEIRASA-N
XLogP4.22
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.45
LogP ≤ 54.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5,5-Dimethyl-2-pentanoyl-3-(1-pyrrolidinyl)-2-cyclohexen-1-one
CID 5192558
2-Butanoyl-5,5-dimethyl-3-pyrrolidin-1-ylcyclohex-2-en-1-one
CID 613184
3-Butyl-5,6-ditert-butyl-1-methylpyridine-2,4-dione
CID 23402591
4-Butyl-6,7-ditert-butyl-1-methyl-3,4-dihydroazepine-2,5-dione
CID 23402607
5,6-Ditert-butyl-1-methyl-3-propylpyridine-2,4-dione
CID 23552343
6,7-Ditert-butyl-1-methyl-4-propyl-3,4-dihydroazepine-2,5-dione
CID 23552346
6,7-Ditert-butyl-1,4-dimethyl-3,4-dihydroazepine-2,5-dione
CID 23592074
2-(2-Methyl-3-oxocyclohexen-1-yl)-2-azaspiro[4.5]decane-1,8-dione
CID 118234496
2-aminoethanol;2-[(E)-1-cyclobutyl-2-methyl-1-oxopent-2-en-3-yl]-2-azaspiro[4.5]decan-1-one
CID 144882774
CID 144882836
CID 144882836
CID 144882839
CID 144882839
2-[(E)-4-methyl-5-oxohex-3-en-3-yl]-2-azaspiro[4.5]decan-1-one
CID 144882861

Frequently Asked Questions

What is the IUPAC name of 2-[(E)-1-cyclobutyl-2-methyl-1-oxopent-2-en-3-yl]-2-azaspiro[4.5]decan-1-one?
The IUPAC name of 2-[(E)-1-cyclobutyl-2-methyl-1-oxopent-2-en-3-yl]-2-azaspiro[4.5]decan-1-one (CID 144882775) is 2-[(E)-1-cyclobutyl-2-methyl-1-oxopent-2-en-3-yl]-2-azaspiro[4.5]decan-1-one.
What is the SMILES notation for 2-[(E)-1-cyclobutyl-2-methyl-1-oxopent-2-en-3-yl]-2-azaspiro[4.5]decan-1-one?
The canonical SMILES for 2-[(E)-1-cyclobutyl-2-methyl-1-oxopent-2-en-3-yl]-2-azaspiro[4.5]decan-1-one is CC/C(=C(/C)C(=O)C1CCC1)N1CCC2(CCCCC2)C1=O.
What is the InChIKey of 2-[(E)-1-cyclobutyl-2-methyl-1-oxopent-2-en-3-yl]-2-azaspiro[4.5]decan-1-one?
The InChIKey is VTYBYJDRINWLQP-JQIJEIRASA-N. The full InChI is InChI=1S/C19H29NO2/c1-3-16(14(2)17(21)15-8-7-9-15)20-13-12-19(18(20)22)10-5-4-6-11-19/h15H,3-13H2,1-2H3/b16-14+.
What are the key properties of 2-[(E)-1-cyclobutyl-2-methyl-1-oxopent-2-en-3-yl]-2-azaspiro[4.5]decan-1-one?
2-[(E)-1-cyclobutyl-2-methyl-1-oxopent-2-en-3-yl]-2-azaspiro[4.5]decan-1-one has a molecular weight of 303.45 g/mol, XLogP of 4.22, 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-2-methyl-1-oxopent-2-en-3-yl]-2-azaspiro[4.5]decan-1-one is sourced from PubChem (CID 144882775), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).