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

C12H16N2O3 — CID 174191906

IUPAC5,5-dimethyl-1,3-bis(prop-2-enyl)-1,3-diazinane-2,4,6-trione
SMILESC=CCN1C(=O)N(CC=C)C(=O)C(C)(C)C1=O
InChIInChI=1S/C12H16N2O3/c1-5-7-13-9(15)12(3,4)10(16)14(8-6-2)11(13)17/h5-6H,1-2,7-8H2,3-4H3
InChIKeyGAWVVEXXPQCXJP-UHFFFAOYSA-N
MW236.27 g/mol
LogP1.18
Rot. Bonds4

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

5,5-dimethyl-1,3-bis(prop-2-enyl)-1,3-diazinane-2,4,6-trione (PubChem CID 174191906) has the molecular formula C12H16N2O3 and a molecular weight of 236.27 g/mol. Its IUPAC name is 5,5-dimethyl-1,3-bis(prop-2-enyl)-1,3-diazinane-2,4,6-trione.

Molecular Properties

Compound Name5,5-dimethyl-1,3-bis(prop-2-enyl)-1,3-diazinane-2,4,6-trione
PubChem CID174191906
Molecular FormulaC12H16N2O3
Molecular Weight236.27 g/mol
Exact Mass236.12
IUPAC Name5,5-dimethyl-1,3-bis(prop-2-enyl)-1,3-diazinane-2,4,6-trione
SMILESC=CCN1C(=O)N(CC=C)C(=O)C(C)(C)C1=O
InChIInChI=1S/C12H16N2O3/c1-5-7-13-9(15)12(3,4)10(16)14(8-6-2)11(13)17/h5-6H,1-2,7-8H2,3-4H3
InChIKeyGAWVVEXXPQCXJP-UHFFFAOYSA-N
XLogP1.18
TPSA57.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.27
LogP ≤ 51.18
H-Bond Donors ≤ 50
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 5,5-dimethyl-1,3-bis(prop-2-enyl)-1,3-diazinane-2,4,6-trione?
The IUPAC name of 5,5-dimethyl-1,3-bis(prop-2-enyl)-1,3-diazinane-2,4,6-trione (CID 174191906) is 5,5-dimethyl-1,3-bis(prop-2-enyl)-1,3-diazinane-2,4,6-trione.
What is the SMILES notation for 5,5-dimethyl-1,3-bis(prop-2-enyl)-1,3-diazinane-2,4,6-trione?
The canonical SMILES for 5,5-dimethyl-1,3-bis(prop-2-enyl)-1,3-diazinane-2,4,6-trione is C=CCN1C(=O)N(CC=C)C(=O)C(C)(C)C1=O.
What is the InChIKey of 5,5-dimethyl-1,3-bis(prop-2-enyl)-1,3-diazinane-2,4,6-trione?
The InChIKey is GAWVVEXXPQCXJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2O3/c1-5-7-13-9(15)12(3,4)10(16)14(8-6-2)11(13)17/h5-6H,1-2,7-8H2,3-4H3.
What are the key properties of 5,5-dimethyl-1,3-bis(prop-2-enyl)-1,3-diazinane-2,4,6-trione?
5,5-dimethyl-1,3-bis(prop-2-enyl)-1,3-diazinane-2,4,6-trione has a molecular weight of 236.27 g/mol, XLogP of 1.18, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5,5-dimethyl-1,3-bis(prop-2-enyl)-1,3-diazinane-2,4,6-trione is sourced from PubChem (CID 174191906), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).