(E)-3-(1-methyl-2,4-dioxopyrimidin-5-yl)-N-propylprop-2-enamide

C11H15N3O3 — CID 59687239

IUPAC(E)-3-(1-methyl-2,4-dioxopyrimidin-5-yl)-N-propylprop-2-enamide
SMILESCCCNC(=O)/C=C/c1cn(C)c(=O)[nH]c1=O
InChIInChI=1S/C11H15N3O3/c1-3-6-12-9(15)5-4-8-7-14(2)11(17)13-10(8)16/h4-5,7H,3,6H2,1-2H3,(H,12,15)(H,13,16,17)/b5-4+
InChIKeyOQLORFUNJRUVPH-SNAWJCMRSA-N
MW237.26 g/mol
LogP-0.39
Rot. Bonds4

About (E)-3-(1-methyl-2,4-dioxopyrimidin-5-yl)-N-propylprop-2-enamide

(E)-3-(1-methyl-2,4-dioxopyrimidin-5-yl)-N-propylprop-2-enamide (PubChem CID 59687239) has the molecular formula C11H15N3O3 and a molecular weight of 237.26 g/mol. Its IUPAC name is (E)-3-(1-methyl-2,4-dioxopyrimidin-5-yl)-N-propylprop-2-enamide.

Molecular Properties

Compound Name(E)-3-(1-methyl-2,4-dioxopyrimidin-5-yl)-N-propylprop-2-enamide
PubChem CID59687239
Molecular FormulaC11H15N3O3
Molecular Weight237.26 g/mol
Exact Mass237.11
IUPAC Name(E)-3-(1-methyl-2,4-dioxopyrimidin-5-yl)-N-propylprop-2-enamide
SMILESCCCNC(=O)/C=C/c1cn(C)c(=O)[nH]c1=O
InChIInChI=1S/C11H15N3O3/c1-3-6-12-9(15)5-4-8-7-14(2)11(17)13-10(8)16/h4-5,7H,3,6H2,1-2H3,(H,12,15)(H,13,16,17)/b5-4+
InChIKeyOQLORFUNJRUVPH-SNAWJCMRSA-N
XLogP-0.39
TPSA83.96 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.26
LogP ≤ 5-0.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze (E)-3-(1-methyl-2,4-dioxopyrimidin-5-yl)-N-propylprop-2-enamide 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 (E)-3-(1-methyl-2,4-dioxopyrimidin-5-yl)-N-propylprop-2-enamide?
The IUPAC name of (E)-3-(1-methyl-2,4-dioxopyrimidin-5-yl)-N-propylprop-2-enamide (CID 59687239) is (E)-3-(1-methyl-2,4-dioxopyrimidin-5-yl)-N-propylprop-2-enamide.
What is the SMILES notation for (E)-3-(1-methyl-2,4-dioxopyrimidin-5-yl)-N-propylprop-2-enamide?
The canonical SMILES for (E)-3-(1-methyl-2,4-dioxopyrimidin-5-yl)-N-propylprop-2-enamide is CCCNC(=O)/C=C/c1cn(C)c(=O)[nH]c1=O.
What is the InChIKey of (E)-3-(1-methyl-2,4-dioxopyrimidin-5-yl)-N-propylprop-2-enamide?
The InChIKey is OQLORFUNJRUVPH-SNAWJCMRSA-N. The full InChI is InChI=1S/C11H15N3O3/c1-3-6-12-9(15)5-4-8-7-14(2)11(17)13-10(8)16/h4-5,7H,3,6H2,1-2H3,(H,12,15)(H,13,16,17)/b5-4+.
What are the key properties of (E)-3-(1-methyl-2,4-dioxopyrimidin-5-yl)-N-propylprop-2-enamide?
(E)-3-(1-methyl-2,4-dioxopyrimidin-5-yl)-N-propylprop-2-enamide has a molecular weight of 237.26 g/mol, XLogP of -0.39, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-(1-methyl-2,4-dioxopyrimidin-5-yl)-N-propylprop-2-enamide is sourced from PubChem (CID 59687239), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).