1-prop-2-enyl-1,3-diazinane-2,4-dione

C7H10N2O2 — CID 78177828

IUPAC1-prop-2-enyl-1,3-diazinane-2,4-dione
SMILESC=CCN1CCC(=O)NC1=O
InChIInChI=1S/C7H10N2O2/c1-2-4-9-5-3-6(10)8-7(9)11/h2H,1,3-5H2,(H,8,10,11)
InChIKeyZKQXNONXLOQTCC-UHFFFAOYSA-N
MW154.17 g/mol
LogP0.11
Rot. Bonds2

About 1-prop-2-enyl-1,3-diazinane-2,4-dione

1-prop-2-enyl-1,3-diazinane-2,4-dione (PubChem CID 78177828) has the molecular formula C7H10N2O2 and a molecular weight of 154.17 g/mol. Its IUPAC name is 1-prop-2-enyl-1,3-diazinane-2,4-dione.

Molecular Properties

Compound Name1-prop-2-enyl-1,3-diazinane-2,4-dione
PubChem CID78177828
Molecular FormulaC7H10N2O2
Molecular Weight154.17 g/mol
Exact Mass154.07
IUPAC Name1-prop-2-enyl-1,3-diazinane-2,4-dione
SMILESC=CCN1CCC(=O)NC1=O
InChIInChI=1S/C7H10N2O2/c1-2-4-9-5-3-6(10)8-7(9)11/h2H,1,3-5H2,(H,8,10,11)
InChIKeyZKQXNONXLOQTCC-UHFFFAOYSA-N
XLogP0.11
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.17
LogP ≤ 50.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 1-prop-2-enyl-1,3-diazinane-2,4-dione 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 1-prop-2-enyl-1,3-diazinane-2,4-dione?
The IUPAC name of 1-prop-2-enyl-1,3-diazinane-2,4-dione (CID 78177828) is 1-prop-2-enyl-1,3-diazinane-2,4-dione.
What is the SMILES notation for 1-prop-2-enyl-1,3-diazinane-2,4-dione?
The canonical SMILES for 1-prop-2-enyl-1,3-diazinane-2,4-dione is C=CCN1CCC(=O)NC1=O.
What is the InChIKey of 1-prop-2-enyl-1,3-diazinane-2,4-dione?
The InChIKey is ZKQXNONXLOQTCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10N2O2/c1-2-4-9-5-3-6(10)8-7(9)11/h2H,1,3-5H2,(H,8,10,11).
What are the key properties of 1-prop-2-enyl-1,3-diazinane-2,4-dione?
1-prop-2-enyl-1,3-diazinane-2,4-dione has a molecular weight of 154.17 g/mol, XLogP of 0.11, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-prop-2-enyl-1,3-diazinane-2,4-dione is sourced from PubChem (CID 78177828), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).