N-[(Z)-4-(2,4-dioxopyrimidin-1-yl)but-2-enyl]benzamide

C15H15N3O3 — CID 46934721

IUPACN-[(Z)-4-(2,4-dioxopyrimidin-1-yl)but-2-enyl]benzamide
SMILESO=C(NC/C=C\Cn1ccc(=O)[nH]c1=O)c1ccccc1
InChIInChI=1S/C15H15N3O3/c19-13-8-11-18(15(21)17-13)10-5-4-9-16-14(20)12-6-2-1-3-7-12/h1-8,11H,9-10H2,(H,16,20)(H,17,19,21)/b5-4-
InChIKeyHKJMDZFQLSYXAF-PLNGDYQASA-N
MW285.30 g/mol
LogP0.52
Rot. Bonds5

About N-[(Z)-4-(2,4-dioxopyrimidin-1-yl)but-2-enyl]benzamide

N-[(Z)-4-(2,4-dioxopyrimidin-1-yl)but-2-enyl]benzamide (PubChem CID 46934721) has the molecular formula C15H15N3O3 and a molecular weight of 285.30 g/mol. Its IUPAC name is N-[(Z)-4-(2,4-dioxopyrimidin-1-yl)but-2-enyl]benzamide.

Molecular Properties

Compound NameN-[(Z)-4-(2,4-dioxopyrimidin-1-yl)but-2-enyl]benzamide
PubChem CID46934721
Molecular FormulaC15H15N3O3
Molecular Weight285.30 g/mol
Exact Mass285.11
IUPAC NameN-[(Z)-4-(2,4-dioxopyrimidin-1-yl)but-2-enyl]benzamide
SMILESO=C(NC/C=C\Cn1ccc(=O)[nH]c1=O)c1ccccc1
InChIInChI=1S/C15H15N3O3/c19-13-8-11-18(15(21)17-13)10-5-4-9-16-14(20)12-6-2-1-3-7-12/h1-8,11H,9-10H2,(H,16,20)(H,17,19,21)/b5-4-
InChIKeyHKJMDZFQLSYXAF-PLNGDYQASA-N
XLogP0.52
TPSA83.96 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.30
LogP ≤ 50.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze N-[(Z)-4-(2,4-dioxopyrimidin-1-yl)but-2-enyl]benzamide 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-[(Z)-4-(2,4-dioxopyrimidin-1-yl)but-2-enyl]benzamide?
The IUPAC name of N-[(Z)-4-(2,4-dioxopyrimidin-1-yl)but-2-enyl]benzamide (CID 46934721) is N-[(Z)-4-(2,4-dioxopyrimidin-1-yl)but-2-enyl]benzamide.
What is the SMILES notation for N-[(Z)-4-(2,4-dioxopyrimidin-1-yl)but-2-enyl]benzamide?
The canonical SMILES for N-[(Z)-4-(2,4-dioxopyrimidin-1-yl)but-2-enyl]benzamide is O=C(NC/C=C\Cn1ccc(=O)[nH]c1=O)c1ccccc1.
What is the InChIKey of N-[(Z)-4-(2,4-dioxopyrimidin-1-yl)but-2-enyl]benzamide?
The InChIKey is HKJMDZFQLSYXAF-PLNGDYQASA-N. The full InChI is InChI=1S/C15H15N3O3/c19-13-8-11-18(15(21)17-13)10-5-4-9-16-14(20)12-6-2-1-3-7-12/h1-8,11H,9-10H2,(H,16,20)(H,17,19,21)/b5-4-.
What are the key properties of N-[(Z)-4-(2,4-dioxopyrimidin-1-yl)but-2-enyl]benzamide?
N-[(Z)-4-(2,4-dioxopyrimidin-1-yl)but-2-enyl]benzamide has a molecular weight of 285.30 g/mol, XLogP of 0.52, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(Z)-4-(2,4-dioxopyrimidin-1-yl)but-2-enyl]benzamide is sourced from PubChem (CID 46934721), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).