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

C12H18N2O3 — CID 92524100

IUPAC5-[(Z,2S)-pent-3-en-2-yl]-5-propyl-1,3-diazinane-2,4,6-trione
SMILESC/C=C\[C@H](C)C1(CCC)C(=O)NC(=O)NC1=O
InChIInChI=1S/C12H18N2O3/c1-4-6-8(3)12(7-5-2)9(15)13-11(17)14-10(12)16/h4,6,8H,5,7H2,1-3H3,(H2,13,14,15,16,17)/b6-4-/t8-/m0/s1
InChIKeyFKUZMHMHFFKCDT-HORMHSFOSA-N
MW238.29 g/mol
LogP1.35
Rot. Bonds4

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

5-[(Z,2S)-pent-3-en-2-yl]-5-propyl-1,3-diazinane-2,4,6-trione (PubChem CID 92524100) has the molecular formula C12H18N2O3 and a molecular weight of 238.29 g/mol. Its IUPAC name is 5-[(Z,2S)-pent-3-en-2-yl]-5-propyl-1,3-diazinane-2,4,6-trione.

Molecular Properties

Compound Name5-[(Z,2S)-pent-3-en-2-yl]-5-propyl-1,3-diazinane-2,4,6-trione
PubChem CID92524100
Molecular FormulaC12H18N2O3
Molecular Weight238.29 g/mol
Exact Mass238.13
IUPAC Name5-[(Z,2S)-pent-3-en-2-yl]-5-propyl-1,3-diazinane-2,4,6-trione
SMILESC/C=C\[C@H](C)C1(CCC)C(=O)NC(=O)NC1=O
InChIInChI=1S/C12H18N2O3/c1-4-6-8(3)12(7-5-2)9(15)13-11(17)14-10(12)16/h4,6,8H,5,7H2,1-3H3,(H2,13,14,15,16,17)/b6-4-/t8-/m0/s1
InChIKeyFKUZMHMHFFKCDT-HORMHSFOSA-N
XLogP1.35
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
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

5-[(Z,2S)-pent-3-en-2-yl]-5-propyl-2-sulfanylidene-1,3-diazinane-4,6-dione
CID 92524095
CID 131883137
CID 131883137
5-butyl-5-(3,3-dimethylbutan-2-yl)-1,3-diazinane-2,4,6-trione
CID 90679577
5-ethyl-5-prop-1-enyl-1,3-diazinane-2,4,6-trione
CID 141323079
sodium 5-but-3-en-2-yl-5-propylpyrimidin-3-ide-2,4,6-trione
CID 23716065
5-(2-hydroxypropyl)-5-propyl-1,3-diazinane-2,4,6-trione
CID 528894
sodium;azane;5-ethyl-5-pentan-2-yl-1,3-diazinane-2,4,6-trione;hydride
CID 173189640
5-[(2R)-butan-2-yl]-5-prop-2-enyl-1,3-diazinane-2,4,6-trione
CID 76959567
5-[(E)-pent-2-en-3-yl]-5-propan-2-yl-1,3-diazinane-2,4,6-trione
CID 5381892
5-[(E)-pent-1-enyl]-5-propan-2-yl-1,3-diazinane-2,4,6-trione
CID 6434839
sodium 5-[(E)-pent-2-en-3-yl]-5-propan-2-yl-1,3-diazinane-2,4,6-trione
CID 54600109
5-(1-butylsulfanylethyl)-5-propyl-2-sulfanylidene-1,3-diazinane-4,6-dione
CID 3033438

Frequently Asked Questions

What is the IUPAC name of 5-[(Z,2S)-pent-3-en-2-yl]-5-propyl-1,3-diazinane-2,4,6-trione?
The IUPAC name of 5-[(Z,2S)-pent-3-en-2-yl]-5-propyl-1,3-diazinane-2,4,6-trione (CID 92524100) is 5-[(Z,2S)-pent-3-en-2-yl]-5-propyl-1,3-diazinane-2,4,6-trione.
What is the SMILES notation for 5-[(Z,2S)-pent-3-en-2-yl]-5-propyl-1,3-diazinane-2,4,6-trione?
The canonical SMILES for 5-[(Z,2S)-pent-3-en-2-yl]-5-propyl-1,3-diazinane-2,4,6-trione is C/C=C\[C@H](C)C1(CCC)C(=O)NC(=O)NC1=O.
What is the InChIKey of 5-[(Z,2S)-pent-3-en-2-yl]-5-propyl-1,3-diazinane-2,4,6-trione?
The InChIKey is FKUZMHMHFFKCDT-HORMHSFOSA-N. The full InChI is InChI=1S/C12H18N2O3/c1-4-6-8(3)12(7-5-2)9(15)13-11(17)14-10(12)16/h4,6,8H,5,7H2,1-3H3,(H2,13,14,15,16,17)/b6-4-/t8-/m0/s1.
What are the key properties of 5-[(Z,2S)-pent-3-en-2-yl]-5-propyl-1,3-diazinane-2,4,6-trione?
5-[(Z,2S)-pent-3-en-2-yl]-5-propyl-1,3-diazinane-2,4,6-trione has a molecular weight of 238.29 g/mol, XLogP of 1.35, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(Z,2S)-pent-3-en-2-yl]-5-propyl-1,3-diazinane-2,4,6-trione is sourced from PubChem (CID 92524100), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).