ethane;N-[(2E)-2-ethenylpenta-2,4-dienyl]-1-methyl-2,4-dioxopyrimidine-5-carboxamide

C15H21N3O3 — CID 156724431

IUPACethane;N-[(2E)-2-ethenylpenta-2,4-dienyl]-1-methyl-2,4-dioxopyrimidine-5-carboxamide
SMILESC=C/C=C(\C=C)CNC(=O)c1cn(C)c(=O)[nH]c1=O.CC
InChIInChI=1S/C13H15N3O3.C2H6/c1-4-6-9(5-2)7-14-11(17)10-8-16(3)13(19)15-12(10)18;1-2/h4-6,8H,1-2,7H2,3H3,(H,14,17)(H,15,18,19);1-2H3/b9-6+;
InChIKeyJWSHGWLPGYZBNH-MLBSPLJJSA-N
MW291.35 g/mol
LogP1.13
Rot. Bonds5

About ethane;N-[(2E)-2-ethenylpenta-2,4-dienyl]-1-methyl-2,4-dioxopyrimidine-5-carboxamide

ethane;N-[(2E)-2-ethenylpenta-2,4-dienyl]-1-methyl-2,4-dioxopyrimidine-5-carboxamide (PubChem CID 156724431) has the molecular formula C15H21N3O3 and a molecular weight of 291.35 g/mol. Its IUPAC name is ethane;N-[(2E)-2-ethenylpenta-2,4-dienyl]-1-methyl-2,4-dioxopyrimidine-5-carboxamide.

Molecular Properties

Compound Nameethane;N-[(2E)-2-ethenylpenta-2,4-dienyl]-1-methyl-2,4-dioxopyrimidine-5-carboxamide
PubChem CID156724431
Molecular FormulaC15H21N3O3
Molecular Weight291.35 g/mol
Exact Mass291.16
IUPAC Nameethane;N-[(2E)-2-ethenylpenta-2,4-dienyl]-1-methyl-2,4-dioxopyrimidine-5-carboxamide
SMILESC=C/C=C(\C=C)CNC(=O)c1cn(C)c(=O)[nH]c1=O.CC
InChIInChI=1S/C13H15N3O3.C2H6/c1-4-6-9(5-2)7-14-11(17)10-8-16(3)13(19)15-12(10)18;1-2/h4-6,8H,1-2,7H2,3H3,(H,14,17)(H,15,18,19);1-2H3/b9-6+;
InChIKeyJWSHGWLPGYZBNH-MLBSPLJJSA-N
XLogP1.13
TPSA83.96 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.35
LogP ≤ 51.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze ethane;N-[(2E)-2-ethenylpenta-2,4-dienyl]-1-methyl-2,4-dioxopyrimidine-5-carboxamide 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 ethane;N-[(2E)-2-ethenylpenta-2,4-dienyl]-1-methyl-2,4-dioxopyrimidine-5-carboxamide?
The IUPAC name of ethane;N-[(2E)-2-ethenylpenta-2,4-dienyl]-1-methyl-2,4-dioxopyrimidine-5-carboxamide (CID 156724431) is ethane;N-[(2E)-2-ethenylpenta-2,4-dienyl]-1-methyl-2,4-dioxopyrimidine-5-carboxamide.
What is the SMILES notation for ethane;N-[(2E)-2-ethenylpenta-2,4-dienyl]-1-methyl-2,4-dioxopyrimidine-5-carboxamide?
The canonical SMILES for ethane;N-[(2E)-2-ethenylpenta-2,4-dienyl]-1-methyl-2,4-dioxopyrimidine-5-carboxamide is C=C/C=C(\C=C)CNC(=O)c1cn(C)c(=O)[nH]c1=O.CC.
What is the InChIKey of ethane;N-[(2E)-2-ethenylpenta-2,4-dienyl]-1-methyl-2,4-dioxopyrimidine-5-carboxamide?
The InChIKey is JWSHGWLPGYZBNH-MLBSPLJJSA-N. The full InChI is InChI=1S/C13H15N3O3.C2H6/c1-4-6-9(5-2)7-14-11(17)10-8-16(3)13(19)15-12(10)18;1-2/h4-6,8H,1-2,7H2,3H3,(H,14,17)(H,15,18,19);1-2H3/b9-6+;.
What are the key properties of ethane;N-[(2E)-2-ethenylpenta-2,4-dienyl]-1-methyl-2,4-dioxopyrimidine-5-carboxamide?
ethane;N-[(2E)-2-ethenylpenta-2,4-dienyl]-1-methyl-2,4-dioxopyrimidine-5-carboxamide has a molecular weight of 291.35 g/mol, XLogP of 1.13, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;N-[(2E)-2-ethenylpenta-2,4-dienyl]-1-methyl-2,4-dioxopyrimidine-5-carboxamide is sourced from PubChem (CID 156724431), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).