5-[(E)-3-(4-methoxyphenyl)prop-2-enyl]-1,3-diazinane-2,4,6-trione

C14H14N2O4 — CID 70679340

IUPAC5-[(E)-3-(4-methoxyphenyl)prop-2-enyl]-1,3-diazinane-2,4,6-trione
SMILESCOc1ccc(/C=C/CC2C(=O)NC(=O)NC2=O)cc1
InChIInChI=1S/C14H14N2O4/c1-20-10-7-5-9(6-8-10)3-2-4-11-12(17)15-14(19)16-13(11)18/h2-3,5-8,11H,4H2,1H3,(H2,15,16,17,18,19)/b3-2+
InChIKeyIOMOBSKZUJIUGX-NSCUHMNNSA-N
MW274.28 g/mol
LogP1.08
Rot. Bonds4

About 5-[(E)-3-(4-methoxyphenyl)prop-2-enyl]-1,3-diazinane-2,4,6-trione

5-[(E)-3-(4-methoxyphenyl)prop-2-enyl]-1,3-diazinane-2,4,6-trione (PubChem CID 70679340) has the molecular formula C14H14N2O4 and a molecular weight of 274.28 g/mol. Its IUPAC name is 5-[(E)-3-(4-methoxyphenyl)prop-2-enyl]-1,3-diazinane-2,4,6-trione.

Molecular Properties

Compound Name5-[(E)-3-(4-methoxyphenyl)prop-2-enyl]-1,3-diazinane-2,4,6-trione
PubChem CID70679340
Molecular FormulaC14H14N2O4
Molecular Weight274.28 g/mol
Exact Mass274.10
IUPAC Name5-[(E)-3-(4-methoxyphenyl)prop-2-enyl]-1,3-diazinane-2,4,6-trione
SMILESCOc1ccc(/C=C/CC2C(=O)NC(=O)NC2=O)cc1
InChIInChI=1S/C14H14N2O4/c1-20-10-7-5-9(6-8-10)3-2-4-11-12(17)15-14(19)16-13(11)18/h2-3,5-8,11H,4H2,1H3,(H2,15,16,17,18,19)/b3-2+
InChIKeyIOMOBSKZUJIUGX-NSCUHMNNSA-N
XLogP1.08
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.28
LogP ≤ 51.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Related Compounds

5-[(E)-3-(4-methoxyphenyl)-1-sulfanylprop-2-enyl]-1,3-diazinane-2,4,6-trione
CID 162393563
1-methoxy-4-[(E)-3-(2-methylidenecyclohexyl)prop-1-enyl]benzene
CID 138616015
1-methoxy-4-[2-[4-[2-[4-[2-(4-methoxyphenyl)ethenyl]phenyl]ethenyl]phenyl]ethenyl]benzene
CID 76573307
1-[(E)-3-iodoprop-1-enyl]-4-methoxybenzene
CID 135075727
1-methoxy-4-[(E)-3-(4-methoxyphenyl)prop-1-enyl]benzene
CID 10800947
6-[2-(4-methoxyphenyl)ethenyl]-4-phenyl-3,4-dihydro-1H-pyrimidin-2-one
CID 171573707
(E)-5-(4-methoxyphenyl)pent-4-en-2-amine
CID 55254782
5-(4-methoxyphenyl)pent-4-enoic acid
CID 54081465
1-(3-butoxyprop-1-enyl)-4-methoxybenzene
CID 72750834
1-[(E)-3-(4-methoxyphenyl)prop-2-enoxy]pyrrolidine-2,5-dione
CID 154707822
(6R)-3-[(4-methoxyphenyl)methylidene]-6-methylpiperazine-2,5-dione
CID 905014
(E)-4-(4-methoxyphenyl)-N,N-dimethylbut-3-enamide
CID 11424540

Frequently Asked Questions

What is the IUPAC name of 5-[(E)-3-(4-methoxyphenyl)prop-2-enyl]-1,3-diazinane-2,4,6-trione?
The IUPAC name of 5-[(E)-3-(4-methoxyphenyl)prop-2-enyl]-1,3-diazinane-2,4,6-trione (CID 70679340) is 5-[(E)-3-(4-methoxyphenyl)prop-2-enyl]-1,3-diazinane-2,4,6-trione.
What is the SMILES notation for 5-[(E)-3-(4-methoxyphenyl)prop-2-enyl]-1,3-diazinane-2,4,6-trione?
The canonical SMILES for 5-[(E)-3-(4-methoxyphenyl)prop-2-enyl]-1,3-diazinane-2,4,6-trione is COc1ccc(/C=C/CC2C(=O)NC(=O)NC2=O)cc1.
What is the InChIKey of 5-[(E)-3-(4-methoxyphenyl)prop-2-enyl]-1,3-diazinane-2,4,6-trione?
The InChIKey is IOMOBSKZUJIUGX-NSCUHMNNSA-N. The full InChI is InChI=1S/C14H14N2O4/c1-20-10-7-5-9(6-8-10)3-2-4-11-12(17)15-14(19)16-13(11)18/h2-3,5-8,11H,4H2,1H3,(H2,15,16,17,18,19)/b3-2+.
What are the key properties of 5-[(E)-3-(4-methoxyphenyl)prop-2-enyl]-1,3-diazinane-2,4,6-trione?
5-[(E)-3-(4-methoxyphenyl)prop-2-enyl]-1,3-diazinane-2,4,6-trione has a molecular weight of 274.28 g/mol, XLogP of 1.08, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(E)-3-(4-methoxyphenyl)prop-2-enyl]-1,3-diazinane-2,4,6-trione is sourced from PubChem (CID 70679340), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).