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

C11H16N2O4 — CID 24189

IUPAC5-(2-methoxypropyl)-5-prop-2-enyl-1,3-diazinane-2,4,6-trione
SMILESC=CCC1(CC(C)OC)C(=O)NC(=O)NC1=O
InChIInChI=1S/C11H16N2O4/c1-4-5-11(6-7(2)17-3)8(14)12-10(16)13-9(11)15/h4,7H,1,5-6H2,2-3H3,(H2,12,13,14,15,16)
InChIKeySYYKWEOXGOHBFJ-UHFFFAOYSA-N
MW240.26 g/mol
LogP0.34
Rot. Bonds5

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

5-(2-methoxypropyl)-5-prop-2-enyl-1,3-diazinane-2,4,6-trione (PubChem CID 24189) has the molecular formula C11H16N2O4 and a molecular weight of 240.26 g/mol. Its IUPAC name is 5-(2-methoxypropyl)-5-prop-2-enyl-1,3-diazinane-2,4,6-trione.

Molecular Properties

Compound Name5-(2-methoxypropyl)-5-prop-2-enyl-1,3-diazinane-2,4,6-trione
PubChem CID24189
Molecular FormulaC11H16N2O4
Molecular Weight240.26 g/mol
Exact Mass240.11
IUPAC Name5-(2-methoxypropyl)-5-prop-2-enyl-1,3-diazinane-2,4,6-trione
SMILESC=CCC1(CC(C)OC)C(=O)NC(=O)NC1=O
InChIInChI=1S/C11H16N2O4/c1-4-5-11(6-7(2)17-3)8(14)12-10(16)13-9(11)15/h4,7H,1,5-6H2,2-3H3,(H2,12,13,14,15,16)
InChIKeySYYKWEOXGOHBFJ-UHFFFAOYSA-N
XLogP0.34
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.26
LogP ≤ 50.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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-(2-hydroxypropyl)-5-prop-2-enyl-1,3-diazinane-2,4,6-trione
CID 17336
5,5-bis(prop-2-enyl)-(2,4,5,6-13C4)1,3-diazinane-2,4,6-trione
CID 76974294
5-(2-methylpropyl)-5-prop-2-enyl-2-sulfanylidene-1,3-diazinane-4,6-dione
CID 3032321
5-[(2R)-butan-2-yl]-5-prop-2-enyl-1,3-diazinane-2,4,6-trione
CID 76959567
sodium 5-but-3-enyl-5-(3-methylbutyl)-1,3-diazinane-2,4,6-trione
CID 54606407
5,5-diethyl-1,3-diazinane-2,4,6-trione;hydrochloride
CID 22163315
5-[(E)-but-2-en-2-yl]-5-prop-2-enyl-1,3-diazinane-2,4,6-trione
CID 5352735
5-ethyl-5-(3-methylbutyl)-1,3-diazinane-2,4,6-trione;hydrofluoride
CID 70470534
5-ethenyl-5-propan-2-yl-1,3-diazinane-2,4,6-trione
CID 23422611
2-[5-(2-methylpropyl)-2,4,6-trioxo-1,3-diazinan-5-yl]acetic acid
CID 10728842
4-but-2-enyl-4-prop-2-enylpyrazolidine-3,5-dione
CID 67259370
5-ethyl-5-(2-ethyl-5-methylhexyl)-1,3-diazinane-2,4,6-trione
CID 3050733

Frequently Asked Questions

What is the IUPAC name of 5-(2-methoxypropyl)-5-prop-2-enyl-1,3-diazinane-2,4,6-trione?
The IUPAC name of 5-(2-methoxypropyl)-5-prop-2-enyl-1,3-diazinane-2,4,6-trione (CID 24189) is 5-(2-methoxypropyl)-5-prop-2-enyl-1,3-diazinane-2,4,6-trione.
What is the SMILES notation for 5-(2-methoxypropyl)-5-prop-2-enyl-1,3-diazinane-2,4,6-trione?
The canonical SMILES for 5-(2-methoxypropyl)-5-prop-2-enyl-1,3-diazinane-2,4,6-trione is C=CCC1(CC(C)OC)C(=O)NC(=O)NC1=O.
What is the InChIKey of 5-(2-methoxypropyl)-5-prop-2-enyl-1,3-diazinane-2,4,6-trione?
The InChIKey is SYYKWEOXGOHBFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2O4/c1-4-5-11(6-7(2)17-3)8(14)12-10(16)13-9(11)15/h4,7H,1,5-6H2,2-3H3,(H2,12,13,14,15,16).
What are the key properties of 5-(2-methoxypropyl)-5-prop-2-enyl-1,3-diazinane-2,4,6-trione?
5-(2-methoxypropyl)-5-prop-2-enyl-1,3-diazinane-2,4,6-trione has a molecular weight of 240.26 g/mol, XLogP of 0.34, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-methoxypropyl)-5-prop-2-enyl-1,3-diazinane-2,4,6-trione is sourced from PubChem (CID 24189), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).