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

C12H18N2O3 — CID 5381892

IUPAC5-[(E)-pent-2-en-3-yl]-5-propan-2-yl-1,3-diazinane-2,4,6-trione
SMILESC/C=C(\CC)C1(C(C)C)C(=O)NC(=O)NC1=O
InChIInChI=1S/C12H18N2O3/c1-5-8(6-2)12(7(3)4)9(15)13-11(17)14-10(12)16/h5,7H,6H2,1-4H3,(H2,13,14,15,16,17)/b8-5+
InChIKeyYHVWPLGZXKWTFF-VMPITWQZSA-N
MW238.29 g/mol
LogP1.35
Rot. Bonds3

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

5-[(E)-pent-2-en-3-yl]-5-propan-2-yl-1,3-diazinane-2,4,6-trione (PubChem CID 5381892) has the molecular formula C12H18N2O3 and a molecular weight of 238.29 g/mol. Its IUPAC name is 5-[(E)-pent-2-en-3-yl]-5-propan-2-yl-1,3-diazinane-2,4,6-trione.

Molecular Properties

Compound Name5-[(E)-pent-2-en-3-yl]-5-propan-2-yl-1,3-diazinane-2,4,6-trione
PubChem CID5381892
Molecular FormulaC12H18N2O3
Molecular Weight238.29 g/mol
Exact Mass238.13
IUPAC Name5-[(E)-pent-2-en-3-yl]-5-propan-2-yl-1,3-diazinane-2,4,6-trione
SMILESC/C=C(\CC)C1(C(C)C)C(=O)NC(=O)NC1=O
InChIInChI=1S/C12H18N2O3/c1-5-8(6-2)12(7(3)4)9(15)13-11(17)14-10(12)16/h5,7H,6H2,1-4H3,(H2,13,14,15,16,17)/b8-5+
InChIKeyYHVWPLGZXKWTFF-VMPITWQZSA-N
XLogP1.35
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.29
LogP ≤ 51.35
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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Related Compounds

sodium 5-[(E)-pent-2-en-3-yl]-5-propan-2-yl-1,3-diazinane-2,4,6-trione
CID 54600109
5-ethyl-5-prop-1-enyl-1,3-diazinane-2,4,6-trione
CID 141323079
5-[(E)-pent-1-enyl]-5-propan-2-yl-1,3-diazinane-2,4,6-trione
CID 6434839
(E)-5-oxo-5-(2,4,6-trioxo-5-pentan-2-yl-1,3-diazinan-5-yl)pent-3-enoic acid
CID 18408274
5-(hydroxyamino)-5-(2-methylpropyl)-1,3-diazinane-2,4,6-trione
CID 118541147
5-ethenyl-5-propan-2-yl-1,3-diazinane-2,4,6-trione
CID 23422611
5-[(Z,2S)-pent-3-en-2-yl]-5-propyl-1,3-diazinane-2,4,6-trione
CID 92524100
(5R)-5-ethyl-5-propan-2-ylimidazolidine-2,4-dione
CID 51382710
5-(2-hydroxypropyl)-5-propyl-1,3-diazinane-2,4,6-trione
CID 528894
5-[(2R)-butan-2-yl]-5-prop-2-enyl-1,3-diazinane-2,4,6-trione
CID 76959567
5,5-diethyl-1,3-diazinane-2,4,6-trione;hydrochloride
CID 22163315
5-ethyl-5-(3-methylbutyl)-1,3-diazinane-2,4,6-trione;hydrofluoride
CID 70470534

Frequently Asked Questions

What is the IUPAC name of 5-[(E)-pent-2-en-3-yl]-5-propan-2-yl-1,3-diazinane-2,4,6-trione?
The IUPAC name of 5-[(E)-pent-2-en-3-yl]-5-propan-2-yl-1,3-diazinane-2,4,6-trione (CID 5381892) is 5-[(E)-pent-2-en-3-yl]-5-propan-2-yl-1,3-diazinane-2,4,6-trione.
What is the SMILES notation for 5-[(E)-pent-2-en-3-yl]-5-propan-2-yl-1,3-diazinane-2,4,6-trione?
The canonical SMILES for 5-[(E)-pent-2-en-3-yl]-5-propan-2-yl-1,3-diazinane-2,4,6-trione is C/C=C(\CC)C1(C(C)C)C(=O)NC(=O)NC1=O.
What is the InChIKey of 5-[(E)-pent-2-en-3-yl]-5-propan-2-yl-1,3-diazinane-2,4,6-trione?
The InChIKey is YHVWPLGZXKWTFF-VMPITWQZSA-N. The full InChI is InChI=1S/C12H18N2O3/c1-5-8(6-2)12(7(3)4)9(15)13-11(17)14-10(12)16/h5,7H,6H2,1-4H3,(H2,13,14,15,16,17)/b8-5+.
What are the key properties of 5-[(E)-pent-2-en-3-yl]-5-propan-2-yl-1,3-diazinane-2,4,6-trione?
5-[(E)-pent-2-en-3-yl]-5-propan-2-yl-1,3-diazinane-2,4,6-trione has a molecular weight of 238.29 g/mol, XLogP of 1.35, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(E)-pent-2-en-3-yl]-5-propan-2-yl-1,3-diazinane-2,4,6-trione is sourced from PubChem (CID 5381892), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).