1,5-bis(prop-2-enyl)-1,3-diazinane-2,4,6-trione

C10H12N2O3 — CID 3026948

IUPAC1,5-bis(prop-2-enyl)-1,3-diazinane-2,4,6-trione
SMILESC=CCC1C(=O)NC(=O)N(CC=C)C1=O
InChIInChI=1S/C10H12N2O3/c1-3-5-7-8(13)11-10(15)12(6-4-2)9(7)14/h3-4,7H,1-2,5-6H2,(H,11,13,15)
InChIKeyCFFBBOIWMQNYKS-UHFFFAOYSA-N
MW208.22 g/mol
LogP0.44
Rot. Bonds4

About 1,5-bis(prop-2-enyl)-1,3-diazinane-2,4,6-trione

1,5-bis(prop-2-enyl)-1,3-diazinane-2,4,6-trione (PubChem CID 3026948) has the molecular formula C10H12N2O3 and a molecular weight of 208.22 g/mol. Its IUPAC name is 1,5-bis(prop-2-enyl)-1,3-diazinane-2,4,6-trione.

Molecular Properties

Compound Name1,5-bis(prop-2-enyl)-1,3-diazinane-2,4,6-trione
PubChem CID3026948
Molecular FormulaC10H12N2O3
Molecular Weight208.22 g/mol
Exact Mass208.08
IUPAC Name1,5-bis(prop-2-enyl)-1,3-diazinane-2,4,6-trione
SMILESC=CCC1C(=O)NC(=O)N(CC=C)C1=O
InChIInChI=1S/C10H12N2O3/c1-3-5-7-8(13)11-10(15)12(6-4-2)9(7)14/h3-4,7H,1-2,5-6H2,(H,11,13,15)
InChIKeyCFFBBOIWMQNYKS-UHFFFAOYSA-N
XLogP0.44
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.22
LogP ≤ 50.44
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 1,5-bis(prop-2-enyl)-1,3-diazinane-2,4,6-trione?
The IUPAC name of 1,5-bis(prop-2-enyl)-1,3-diazinane-2,4,6-trione (CID 3026948) is 1,5-bis(prop-2-enyl)-1,3-diazinane-2,4,6-trione.
What is the SMILES notation for 1,5-bis(prop-2-enyl)-1,3-diazinane-2,4,6-trione?
The canonical SMILES for 1,5-bis(prop-2-enyl)-1,3-diazinane-2,4,6-trione is C=CCC1C(=O)NC(=O)N(CC=C)C1=O.
What is the InChIKey of 1,5-bis(prop-2-enyl)-1,3-diazinane-2,4,6-trione?
The InChIKey is CFFBBOIWMQNYKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N2O3/c1-3-5-7-8(13)11-10(15)12(6-4-2)9(7)14/h3-4,7H,1-2,5-6H2,(H,11,13,15).
What are the key properties of 1,5-bis(prop-2-enyl)-1,3-diazinane-2,4,6-trione?
1,5-bis(prop-2-enyl)-1,3-diazinane-2,4,6-trione has a molecular weight of 208.22 g/mol, XLogP of 0.44, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,5-bis(prop-2-enyl)-1,3-diazinane-2,4,6-trione is sourced from PubChem (CID 3026948), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).