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

C15H22N2O3 — CID 174641116

IUPAC1-(2,2-dimethylpropyl)-5,5-bis(prop-2-enyl)-1,3-diazinane-2,4,6-trione
SMILESC=CCC1(CC=C)C(=O)NC(=O)N(CC(C)(C)C)C1=O
InChIInChI=1S/C15H22N2O3/c1-6-8-15(9-7-2)11(18)16-13(20)17(12(15)19)10-14(3,4)5/h6-7H,1-2,8-10H2,3-5H3,(H,16,18,20)
InChIKeyJBXOWJFNZJZVEL-UHFFFAOYSA-N
MW278.35 g/mol
LogP2.25
Rot. Bonds5

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

1-(2,2-dimethylpropyl)-5,5-bis(prop-2-enyl)-1,3-diazinane-2,4,6-trione (PubChem CID 174641116) has the molecular formula C15H22N2O3 and a molecular weight of 278.35 g/mol. Its IUPAC name is 1-(2,2-dimethylpropyl)-5,5-bis(prop-2-enyl)-1,3-diazinane-2,4,6-trione.

Molecular Properties

Compound Name1-(2,2-dimethylpropyl)-5,5-bis(prop-2-enyl)-1,3-diazinane-2,4,6-trione
PubChem CID174641116
Molecular FormulaC15H22N2O3
Molecular Weight278.35 g/mol
Exact Mass278.16
IUPAC Name1-(2,2-dimethylpropyl)-5,5-bis(prop-2-enyl)-1,3-diazinane-2,4,6-trione
SMILESC=CCC1(CC=C)C(=O)NC(=O)N(CC(C)(C)C)C1=O
InChIInChI=1S/C15H22N2O3/c1-6-8-15(9-7-2)11(18)16-13(20)17(12(15)19)10-14(3,4)5/h6-7H,1-2,8-10H2,3-5H3,(H,16,18,20)
InChIKeyJBXOWJFNZJZVEL-UHFFFAOYSA-N
XLogP2.25
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.35
LogP ≤ 52.25
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-(2,2-dimethylpropyl)-5,5-bis(prop-2-enyl)-1,3-diazinane-2,4,6-trione?
The IUPAC name of 1-(2,2-dimethylpropyl)-5,5-bis(prop-2-enyl)-1,3-diazinane-2,4,6-trione (CID 174641116) is 1-(2,2-dimethylpropyl)-5,5-bis(prop-2-enyl)-1,3-diazinane-2,4,6-trione.
What is the SMILES notation for 1-(2,2-dimethylpropyl)-5,5-bis(prop-2-enyl)-1,3-diazinane-2,4,6-trione?
The canonical SMILES for 1-(2,2-dimethylpropyl)-5,5-bis(prop-2-enyl)-1,3-diazinane-2,4,6-trione is C=CCC1(CC=C)C(=O)NC(=O)N(CC(C)(C)C)C1=O.
What is the InChIKey of 1-(2,2-dimethylpropyl)-5,5-bis(prop-2-enyl)-1,3-diazinane-2,4,6-trione?
The InChIKey is JBXOWJFNZJZVEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O3/c1-6-8-15(9-7-2)11(18)16-13(20)17(12(15)19)10-14(3,4)5/h6-7H,1-2,8-10H2,3-5H3,(H,16,18,20).
What are the key properties of 1-(2,2-dimethylpropyl)-5,5-bis(prop-2-enyl)-1,3-diazinane-2,4,6-trione?
1-(2,2-dimethylpropyl)-5,5-bis(prop-2-enyl)-1,3-diazinane-2,4,6-trione has a molecular weight of 278.35 g/mol, XLogP of 2.25, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,2-dimethylpropyl)-5,5-bis(prop-2-enyl)-1,3-diazinane-2,4,6-trione is sourced from PubChem (CID 174641116), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).