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

C8H10N2O3 — CID 23273698

IUPAC5-methyl-5-prop-2-enyl-1,3-diazinane-2,4,6-trione
SMILESC=CCC1(C)C(=O)NC(=O)NC1=O
InChIInChI=1S/C8H10N2O3/c1-3-4-8(2)5(11)9-7(13)10-6(8)12/h3H,1,4H2,2H3,(H2,9,10,11,12,13)
InChIKeyWMSQREUDUHHDDC-UHFFFAOYSA-N
MW182.18 g/mol
LogP-0.07
Rot. Bonds2

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

5-methyl-5-prop-2-enyl-1,3-diazinane-2,4,6-trione (PubChem CID 23273698) has the molecular formula C8H10N2O3 and a molecular weight of 182.18 g/mol. Its IUPAC name is 5-methyl-5-prop-2-enyl-1,3-diazinane-2,4,6-trione.

Molecular Properties

Compound Name5-methyl-5-prop-2-enyl-1,3-diazinane-2,4,6-trione
PubChem CID23273698
Molecular FormulaC8H10N2O3
Molecular Weight182.18 g/mol
Exact Mass182.07
IUPAC Name5-methyl-5-prop-2-enyl-1,3-diazinane-2,4,6-trione
SMILESC=CCC1(C)C(=O)NC(=O)NC1=O
InChIInChI=1S/C8H10N2O3/c1-3-4-8(2)5(11)9-7(13)10-6(8)12/h3H,1,4H2,2H3,(H2,9,10,11,12,13)
InChIKeyWMSQREUDUHHDDC-UHFFFAOYSA-N
XLogP-0.07
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.18
LogP ≤ 5-0.07
H-Bond Donors ≤ 52
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-methyl-5-prop-2-enyl-1,3-diazinane-2,4,6-trione?
The IUPAC name of 5-methyl-5-prop-2-enyl-1,3-diazinane-2,4,6-trione (CID 23273698) is 5-methyl-5-prop-2-enyl-1,3-diazinane-2,4,6-trione.
What is the SMILES notation for 5-methyl-5-prop-2-enyl-1,3-diazinane-2,4,6-trione?
The canonical SMILES for 5-methyl-5-prop-2-enyl-1,3-diazinane-2,4,6-trione is C=CCC1(C)C(=O)NC(=O)NC1=O.
What is the InChIKey of 5-methyl-5-prop-2-enyl-1,3-diazinane-2,4,6-trione?
The InChIKey is WMSQREUDUHHDDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10N2O3/c1-3-4-8(2)5(11)9-7(13)10-6(8)12/h3H,1,4H2,2H3,(H2,9,10,11,12,13).
What are the key properties of 5-methyl-5-prop-2-enyl-1,3-diazinane-2,4,6-trione?
5-methyl-5-prop-2-enyl-1,3-diazinane-2,4,6-trione has a molecular weight of 182.18 g/mol, XLogP of -0.07, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-5-prop-2-enyl-1,3-diazinane-2,4,6-trione is sourced from PubChem (CID 23273698), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).