5-propan-2-yl-1-prop-2-enyl-1,3-diazinane-2,4,6-trione

C10H14N2O3 — CID 23363530

IUPAC5-propan-2-yl-1-prop-2-enyl-1,3-diazinane-2,4,6-trione
SMILESC=CCN1C(=O)NC(=O)C(C(C)C)C1=O
InChIInChI=1S/C10H14N2O3/c1-4-5-12-9(14)7(6(2)3)8(13)11-10(12)15/h4,6-7H,1,5H2,2-3H3,(H,11,13,15)
InChIKeyFRGHGOXNUDAATN-UHFFFAOYSA-N
MW210.23 g/mol
LogP0.52
Rot. Bonds3

About 5-propan-2-yl-1-prop-2-enyl-1,3-diazinane-2,4,6-trione

5-propan-2-yl-1-prop-2-enyl-1,3-diazinane-2,4,6-trione (PubChem CID 23363530) has the molecular formula C10H14N2O3 and a molecular weight of 210.23 g/mol. Its IUPAC name is 5-propan-2-yl-1-prop-2-enyl-1,3-diazinane-2,4,6-trione.

Molecular Properties

Compound Name5-propan-2-yl-1-prop-2-enyl-1,3-diazinane-2,4,6-trione
PubChem CID23363530
Molecular FormulaC10H14N2O3
Molecular Weight210.23 g/mol
Exact Mass210.10
IUPAC Name5-propan-2-yl-1-prop-2-enyl-1,3-diazinane-2,4,6-trione
SMILESC=CCN1C(=O)NC(=O)C(C(C)C)C1=O
InChIInChI=1S/C10H14N2O3/c1-4-5-12-9(14)7(6(2)3)8(13)11-10(12)15/h4,6-7H,1,5H2,2-3H3,(H,11,13,15)
InChIKeyFRGHGOXNUDAATN-UHFFFAOYSA-N
XLogP0.52
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.23
LogP ≤ 50.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-propan-2-yl-1-prop-2-enyl-1,3-diazinane-2,4,6-trione?
The IUPAC name of 5-propan-2-yl-1-prop-2-enyl-1,3-diazinane-2,4,6-trione (CID 23363530) is 5-propan-2-yl-1-prop-2-enyl-1,3-diazinane-2,4,6-trione.
What is the SMILES notation for 5-propan-2-yl-1-prop-2-enyl-1,3-diazinane-2,4,6-trione?
The canonical SMILES for 5-propan-2-yl-1-prop-2-enyl-1,3-diazinane-2,4,6-trione is C=CCN1C(=O)NC(=O)C(C(C)C)C1=O.
What is the InChIKey of 5-propan-2-yl-1-prop-2-enyl-1,3-diazinane-2,4,6-trione?
The InChIKey is FRGHGOXNUDAATN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N2O3/c1-4-5-12-9(14)7(6(2)3)8(13)11-10(12)15/h4,6-7H,1,5H2,2-3H3,(H,11,13,15).
What are the key properties of 5-propan-2-yl-1-prop-2-enyl-1,3-diazinane-2,4,6-trione?
5-propan-2-yl-1-prop-2-enyl-1,3-diazinane-2,4,6-trione has a molecular weight of 210.23 g/mol, XLogP of 0.52, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-propan-2-yl-1-prop-2-enyl-1,3-diazinane-2,4,6-trione is sourced from PubChem (CID 23363530), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).