5-but-3-enyl-1-propan-2-ylpyrimidine-2,4-dione

C11H16N2O2 — CID 58462461

IUPAC5-but-3-enyl-1-propan-2-ylpyrimidine-2,4-dione
SMILESC=CCCc1cn(C(C)C)c(=O)[nH]c1=O
InChIInChI=1S/C11H16N2O2/c1-4-5-6-9-7-13(8(2)3)11(15)12-10(9)14/h4,7-8H,1,5-6H2,2-3H3,(H,12,14,15)
InChIKeyNVZWPJAWHJNFCN-UHFFFAOYSA-N
MW208.26 g/mol
LogP1.24
Rot. Bonds4

About 5-but-3-enyl-1-propan-2-ylpyrimidine-2,4-dione

5-but-3-enyl-1-propan-2-ylpyrimidine-2,4-dione (PubChem CID 58462461) has the molecular formula C11H16N2O2 and a molecular weight of 208.26 g/mol. Its IUPAC name is 5-but-3-enyl-1-propan-2-ylpyrimidine-2,4-dione.

Molecular Properties

Compound Name5-but-3-enyl-1-propan-2-ylpyrimidine-2,4-dione
PubChem CID58462461
Molecular FormulaC11H16N2O2
Molecular Weight208.26 g/mol
Exact Mass208.12
IUPAC Name5-but-3-enyl-1-propan-2-ylpyrimidine-2,4-dione
SMILESC=CCCc1cn(C(C)C)c(=O)[nH]c1=O
InChIInChI=1S/C11H16N2O2/c1-4-5-6-9-7-13(8(2)3)11(15)12-10(9)14/h4,7-8H,1,5-6H2,2-3H3,(H,12,14,15)
InChIKeyNVZWPJAWHJNFCN-UHFFFAOYSA-N
XLogP1.24
TPSA54.86 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.26
LogP ≤ 51.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-but-3-enyl-1-propan-2-ylpyrimidine-2,4-dione?
The IUPAC name of 5-but-3-enyl-1-propan-2-ylpyrimidine-2,4-dione (CID 58462461) is 5-but-3-enyl-1-propan-2-ylpyrimidine-2,4-dione.
What is the SMILES notation for 5-but-3-enyl-1-propan-2-ylpyrimidine-2,4-dione?
The canonical SMILES for 5-but-3-enyl-1-propan-2-ylpyrimidine-2,4-dione is C=CCCc1cn(C(C)C)c(=O)[nH]c1=O.
What is the InChIKey of 5-but-3-enyl-1-propan-2-ylpyrimidine-2,4-dione?
The InChIKey is NVZWPJAWHJNFCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2O2/c1-4-5-6-9-7-13(8(2)3)11(15)12-10(9)14/h4,7-8H,1,5-6H2,2-3H3,(H,12,14,15).
What are the key properties of 5-but-3-enyl-1-propan-2-ylpyrimidine-2,4-dione?
5-but-3-enyl-1-propan-2-ylpyrimidine-2,4-dione has a molecular weight of 208.26 g/mol, XLogP of 1.24, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-but-3-enyl-1-propan-2-ylpyrimidine-2,4-dione is sourced from PubChem (CID 58462461), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).