4-methyl-7-(3-oxobutyl)-2-prop-2-enyl-2-azaspiro[4.5]decane-1,6-dione

C17H25NO3 — CID 10732335

IUPAC4-methyl-7-(3-oxobutyl)-2-prop-2-enyl-2-azaspiro[4.5]decane-1,6-dione
SMILESC=CCN1CC(C)C2(CCCC(CCC(C)=O)C2=O)C1=O
InChIInChI=1S/C17H25NO3/c1-4-10-18-11-12(2)17(16(18)21)9-5-6-14(15(17)20)8-7-13(3)19/h4,12,14H,1,5-11H2,2-3H3
InChIKeyULWRVLGVNGXFNN-UHFFFAOYSA-N
MW291.39 g/mol
LogP2.38
Rot. Bonds5

About 4-methyl-7-(3-oxobutyl)-2-prop-2-enyl-2-azaspiro[4.5]decane-1,6-dione

4-methyl-7-(3-oxobutyl)-2-prop-2-enyl-2-azaspiro[4.5]decane-1,6-dione (PubChem CID 10732335) has the molecular formula C17H25NO3 and a molecular weight of 291.39 g/mol. Its IUPAC name is 4-methyl-7-(3-oxobutyl)-2-prop-2-enyl-2-azaspiro[4.5]decane-1,6-dione.

Molecular Properties

Compound Name4-methyl-7-(3-oxobutyl)-2-prop-2-enyl-2-azaspiro[4.5]decane-1,6-dione
PubChem CID10732335
Molecular FormulaC17H25NO3
Molecular Weight291.39 g/mol
Exact Mass291.18
IUPAC Name4-methyl-7-(3-oxobutyl)-2-prop-2-enyl-2-azaspiro[4.5]decane-1,6-dione
SMILESC=CCN1CC(C)C2(CCCC(CCC(C)=O)C2=O)C1=O
InChIInChI=1S/C17H25NO3/c1-4-10-18-11-12(2)17(16(18)21)9-5-6-14(15(17)20)8-7-13(3)19/h4,12,14H,1,5-11H2,2-3H3
InChIKeyULWRVLGVNGXFNN-UHFFFAOYSA-N
XLogP2.38
TPSA54.45 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.39
LogP ≤ 52.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze 4-methyl-7-(3-oxobutyl)-2-prop-2-enyl-2-azaspiro[4.5]decane-1,6-dione with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-methyl-7-(3-oxobutyl)-2-prop-2-enyl-2-azaspiro[4.5]decane-1,6-dione?
The IUPAC name of 4-methyl-7-(3-oxobutyl)-2-prop-2-enyl-2-azaspiro[4.5]decane-1,6-dione (CID 10732335) is 4-methyl-7-(3-oxobutyl)-2-prop-2-enyl-2-azaspiro[4.5]decane-1,6-dione.
What is the SMILES notation for 4-methyl-7-(3-oxobutyl)-2-prop-2-enyl-2-azaspiro[4.5]decane-1,6-dione?
The canonical SMILES for 4-methyl-7-(3-oxobutyl)-2-prop-2-enyl-2-azaspiro[4.5]decane-1,6-dione is C=CCN1CC(C)C2(CCCC(CCC(C)=O)C2=O)C1=O.
What is the InChIKey of 4-methyl-7-(3-oxobutyl)-2-prop-2-enyl-2-azaspiro[4.5]decane-1,6-dione?
The InChIKey is ULWRVLGVNGXFNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25NO3/c1-4-10-18-11-12(2)17(16(18)21)9-5-6-14(15(17)20)8-7-13(3)19/h4,12,14H,1,5-11H2,2-3H3.
What are the key properties of 4-methyl-7-(3-oxobutyl)-2-prop-2-enyl-2-azaspiro[4.5]decane-1,6-dione?
4-methyl-7-(3-oxobutyl)-2-prop-2-enyl-2-azaspiro[4.5]decane-1,6-dione has a molecular weight of 291.39 g/mol, XLogP of 2.38, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-7-(3-oxobutyl)-2-prop-2-enyl-2-azaspiro[4.5]decane-1,6-dione is sourced from PubChem (CID 10732335), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).