1,5-dimethyl-5-[(Z)-pent-2-en-2-yl]-1,3-diazinane-2,4,6-trione

C11H16N2O3 — CID 102240018

IUPAC1,5-dimethyl-5-[(Z)-pent-2-en-2-yl]-1,3-diazinane-2,4,6-trione
SMILESCC/C=C(/C)C1(C)C(=O)NC(=O)N(C)C1=O
InChIInChI=1S/C11H16N2O3/c1-5-6-7(2)11(3)8(14)12-10(16)13(4)9(11)15/h6H,5H2,1-4H3,(H,12,14,16)/b7-6-
InChIKeyNQAQQPDQASZWJL-SREVYHEPSA-N
MW224.26 g/mol
LogP1.06
Rot. Bonds2

About 1,5-dimethyl-5-[(Z)-pent-2-en-2-yl]-1,3-diazinane-2,4,6-trione

1,5-dimethyl-5-[(Z)-pent-2-en-2-yl]-1,3-diazinane-2,4,6-trione (PubChem CID 102240018) has the molecular formula C11H16N2O3 and a molecular weight of 224.26 g/mol. Its IUPAC name is 1,5-dimethyl-5-[(Z)-pent-2-en-2-yl]-1,3-diazinane-2,4,6-trione.

Molecular Properties

Compound Name1,5-dimethyl-5-[(Z)-pent-2-en-2-yl]-1,3-diazinane-2,4,6-trione
PubChem CID102240018
Molecular FormulaC11H16N2O3
Molecular Weight224.26 g/mol
Exact Mass224.12
IUPAC Name1,5-dimethyl-5-[(Z)-pent-2-en-2-yl]-1,3-diazinane-2,4,6-trione
SMILESCC/C=C(/C)C1(C)C(=O)NC(=O)N(C)C1=O
InChIInChI=1S/C11H16N2O3/c1-5-6-7(2)11(3)8(14)12-10(16)13(4)9(11)15/h6H,5H2,1-4H3,(H,12,14,16)/b7-6-
InChIKeyNQAQQPDQASZWJL-SREVYHEPSA-N
XLogP1.06
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.26
LogP ≤ 51.06
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-dimethyl-5-[(Z)-pent-2-en-2-yl]-1,3-diazinane-2,4,6-trione?
The IUPAC name of 1,5-dimethyl-5-[(Z)-pent-2-en-2-yl]-1,3-diazinane-2,4,6-trione (CID 102240018) is 1,5-dimethyl-5-[(Z)-pent-2-en-2-yl]-1,3-diazinane-2,4,6-trione.
What is the SMILES notation for 1,5-dimethyl-5-[(Z)-pent-2-en-2-yl]-1,3-diazinane-2,4,6-trione?
The canonical SMILES for 1,5-dimethyl-5-[(Z)-pent-2-en-2-yl]-1,3-diazinane-2,4,6-trione is CC/C=C(/C)C1(C)C(=O)NC(=O)N(C)C1=O.
What is the InChIKey of 1,5-dimethyl-5-[(Z)-pent-2-en-2-yl]-1,3-diazinane-2,4,6-trione?
The InChIKey is NQAQQPDQASZWJL-SREVYHEPSA-N. The full InChI is InChI=1S/C11H16N2O3/c1-5-6-7(2)11(3)8(14)12-10(16)13(4)9(11)15/h6H,5H2,1-4H3,(H,12,14,16)/b7-6-.
What are the key properties of 1,5-dimethyl-5-[(Z)-pent-2-en-2-yl]-1,3-diazinane-2,4,6-trione?
1,5-dimethyl-5-[(Z)-pent-2-en-2-yl]-1,3-diazinane-2,4,6-trione has a molecular weight of 224.26 g/mol, XLogP of 1.06, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,5-dimethyl-5-[(Z)-pent-2-en-2-yl]-1,3-diazinane-2,4,6-trione is sourced from PubChem (CID 102240018), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).