5-but-3-enyl-1H-pyrimidine-2,4-dione

C8H10N2O2 — CID 175908088

IUPAC5-but-3-enyl-1H-pyrimidine-2,4-dione
SMILESC=CCCc1c[nH]c(=O)[nH]c1=O
InChIInChI=1S/C8H10N2O2/c1-2-3-4-6-5-9-8(12)10-7(6)11/h2,5H,1,3-4H2,(H2,9,10,11,12)
InChIKeyKHKXELLAOQNLKU-UHFFFAOYSA-N
MW166.18 g/mol
LogP0.18
Rot. Bonds3

About 5-but-3-enyl-1H-pyrimidine-2,4-dione

5-but-3-enyl-1H-pyrimidine-2,4-dione (PubChem CID 175908088) has the molecular formula C8H10N2O2 and a molecular weight of 166.18 g/mol. Its IUPAC name is 5-but-3-enyl-1H-pyrimidine-2,4-dione.

Molecular Properties

Compound Name5-but-3-enyl-1H-pyrimidine-2,4-dione
PubChem CID175908088
Molecular FormulaC8H10N2O2
Molecular Weight166.18 g/mol
Exact Mass166.07
IUPAC Name5-but-3-enyl-1H-pyrimidine-2,4-dione
SMILESC=CCCc1c[nH]c(=O)[nH]c1=O
InChIInChI=1S/C8H10N2O2/c1-2-3-4-6-5-9-8(12)10-7(6)11/h2,5H,1,3-4H2,(H2,9,10,11,12)
InChIKeyKHKXELLAOQNLKU-UHFFFAOYSA-N
XLogP0.18
TPSA65.72 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.18
LogP ≤ 50.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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-1H-pyrimidine-2,4-dione?
The IUPAC name of 5-but-3-enyl-1H-pyrimidine-2,4-dione (CID 175908088) is 5-but-3-enyl-1H-pyrimidine-2,4-dione.
What is the SMILES notation for 5-but-3-enyl-1H-pyrimidine-2,4-dione?
The canonical SMILES for 5-but-3-enyl-1H-pyrimidine-2,4-dione is C=CCCc1c[nH]c(=O)[nH]c1=O.
What is the InChIKey of 5-but-3-enyl-1H-pyrimidine-2,4-dione?
The InChIKey is KHKXELLAOQNLKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10N2O2/c1-2-3-4-6-5-9-8(12)10-7(6)11/h2,5H,1,3-4H2,(H2,9,10,11,12).
What are the key properties of 5-but-3-enyl-1H-pyrimidine-2,4-dione?
5-but-3-enyl-1H-pyrimidine-2,4-dione has a molecular weight of 166.18 g/mol, XLogP of 0.18, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-but-3-enyl-1H-pyrimidine-2,4-dione is sourced from PubChem (CID 175908088), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).