N-[(E)-5,8-dioxonon-3-enyl]-5-(oxetan-3-ylidene)-4-oxopentanamide

C17H23NO5 — CID 146515935

IUPACN-[(E)-5,8-dioxonon-3-enyl]-5-(oxetan-3-ylidene)-4-oxopentanamide
SMILESCC(=O)CCC(=O)/C=C/CCNC(=O)CCC(=O)C=C1COC1
InChIInChI=1S/C17H23NO5/c1-13(19)5-6-15(20)4-2-3-9-18-17(22)8-7-16(21)10-14-11-23-12-14/h2,4,10H,3,5-9,11-12H2,1H3,(H,18,22)/b4-2+
InChIKeyDXHCAGLAFUWJPH-DUXPYHPUSA-N
MW321.37 g/mol
LogP1.29
Rot. Bonds11

About N-[(E)-5,8-dioxonon-3-enyl]-5-(oxetan-3-ylidene)-4-oxopentanamide

N-[(E)-5,8-dioxonon-3-enyl]-5-(oxetan-3-ylidene)-4-oxopentanamide (PubChem CID 146515935) has the molecular formula C17H23NO5 and a molecular weight of 321.37 g/mol. Its IUPAC name is N-[(E)-5,8-dioxonon-3-enyl]-5-(oxetan-3-ylidene)-4-oxopentanamide.

Molecular Properties

Compound NameN-[(E)-5,8-dioxonon-3-enyl]-5-(oxetan-3-ylidene)-4-oxopentanamide
PubChem CID146515935
Molecular FormulaC17H23NO5
Molecular Weight321.37 g/mol
Exact Mass321.16
IUPAC NameN-[(E)-5,8-dioxonon-3-enyl]-5-(oxetan-3-ylidene)-4-oxopentanamide
SMILESCC(=O)CCC(=O)/C=C/CCNC(=O)CCC(=O)C=C1COC1
InChIInChI=1S/C17H23NO5/c1-13(19)5-6-15(20)4-2-3-9-18-17(22)8-7-16(21)10-14-11-23-12-14/h2,4,10H,3,5-9,11-12H2,1H3,(H,18,22)/b4-2+
InChIKeyDXHCAGLAFUWJPH-DUXPYHPUSA-N
XLogP1.29
TPSA89.54 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds11
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.37
LogP ≤ 51.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze N-[(E)-5,8-dioxonon-3-enyl]-5-(oxetan-3-ylidene)-4-oxopentanamide 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 N-[(E)-5,8-dioxonon-3-enyl]-5-(oxetan-3-ylidene)-4-oxopentanamide?
The IUPAC name of N-[(E)-5,8-dioxonon-3-enyl]-5-(oxetan-3-ylidene)-4-oxopentanamide (CID 146515935) is N-[(E)-5,8-dioxonon-3-enyl]-5-(oxetan-3-ylidene)-4-oxopentanamide.
What is the SMILES notation for N-[(E)-5,8-dioxonon-3-enyl]-5-(oxetan-3-ylidene)-4-oxopentanamide?
The canonical SMILES for N-[(E)-5,8-dioxonon-3-enyl]-5-(oxetan-3-ylidene)-4-oxopentanamide is CC(=O)CCC(=O)/C=C/CCNC(=O)CCC(=O)C=C1COC1.
What is the InChIKey of N-[(E)-5,8-dioxonon-3-enyl]-5-(oxetan-3-ylidene)-4-oxopentanamide?
The InChIKey is DXHCAGLAFUWJPH-DUXPYHPUSA-N. The full InChI is InChI=1S/C17H23NO5/c1-13(19)5-6-15(20)4-2-3-9-18-17(22)8-7-16(21)10-14-11-23-12-14/h2,4,10H,3,5-9,11-12H2,1H3,(H,18,22)/b4-2+.
What are the key properties of N-[(E)-5,8-dioxonon-3-enyl]-5-(oxetan-3-ylidene)-4-oxopentanamide?
N-[(E)-5,8-dioxonon-3-enyl]-5-(oxetan-3-ylidene)-4-oxopentanamide has a molecular weight of 321.37 g/mol, XLogP of 1.29, 11 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-5,8-dioxonon-3-enyl]-5-(oxetan-3-ylidene)-4-oxopentanamide is sourced from PubChem (CID 146515935), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).