1-[(4-ethenylphenyl)methyl]-3-methyl-1,3-diazinane-2,4,6-trione

C14H14N2O3 — CID 102461213

IUPAC1-[(4-ethenylphenyl)methyl]-3-methyl-1,3-diazinane-2,4,6-trione
SMILESC=Cc1ccc(CN2C(=O)CC(=O)N(C)C2=O)cc1
InChIInChI=1S/C14H14N2O3/c1-3-10-4-6-11(7-5-10)9-16-13(18)8-12(17)15(2)14(16)19/h3-7H,1,8-9H2,2H3
InChIKeyONNOHSTWEJOMET-UHFFFAOYSA-N
MW258.28 g/mol
LogP1.64
Rot. Bonds3

About 1-[(4-ethenylphenyl)methyl]-3-methyl-1,3-diazinane-2,4,6-trione

1-[(4-ethenylphenyl)methyl]-3-methyl-1,3-diazinane-2,4,6-trione (PubChem CID 102461213) has the molecular formula C14H14N2O3 and a molecular weight of 258.28 g/mol. Its IUPAC name is 1-[(4-ethenylphenyl)methyl]-3-methyl-1,3-diazinane-2,4,6-trione.

Molecular Properties

Compound Name1-[(4-ethenylphenyl)methyl]-3-methyl-1,3-diazinane-2,4,6-trione
PubChem CID102461213
Molecular FormulaC14H14N2O3
Molecular Weight258.28 g/mol
Exact Mass258.10
IUPAC Name1-[(4-ethenylphenyl)methyl]-3-methyl-1,3-diazinane-2,4,6-trione
SMILESC=Cc1ccc(CN2C(=O)CC(=O)N(C)C2=O)cc1
InChIInChI=1S/C14H14N2O3/c1-3-10-4-6-11(7-5-10)9-16-13(18)8-12(17)15(2)14(16)19/h3-7H,1,8-9H2,2H3
InChIKeyONNOHSTWEJOMET-UHFFFAOYSA-N
XLogP1.64
TPSA57.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.28
LogP ≤ 51.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N,N'-dibenzyl-N,N'-diethylpropanediamide
CID 2392254
1-Benzyl-2-sulfanylidene-1,3-diazinane-4,6-dione
CID 2367271
1-benzylpyrimidine-2,4,6(1H,3H,5H)-trione
CID 268726
Barbituric acid, 1-benzyl-5,5-diallyl-
CID 48576
N,N'-Dibenzyl-N,N'-dimethyl-malonamide
CID 2392235
1-N-benzyl-3-N-(2-methylpropyl)piperidine-1,3-dicarboxamide
CID 3222825
1-Benzyl-5-bromo-1,3-diazinane-2,4-dione
CID 237961
1,3-bis(2-phenylethyl)pyrimidine-2,4,6(1H,3H,5H)-trione
CID 2187415
1-Benzyl-3-[6-(3-benzyl-2,4,6-trioxo-1,3-diazinan-1-yl)hexyl]-1,3-diazinane-2,4,6-trione
CID 2818390
1-[(4-Methylphenyl)methyl]-1,3-diazinan-2-one
CID 5076486
1,3-Bis(4-phenylbutyl)-1,3-diazinane-2,4,6-trione
CID 49805860
1-Octyl-3-(2-phenylethyl)-1,3-diazinane-2,4,6-trione
CID 52937765

Frequently Asked Questions

What is the IUPAC name of 1-[(4-ethenylphenyl)methyl]-3-methyl-1,3-diazinane-2,4,6-trione?
The IUPAC name of 1-[(4-ethenylphenyl)methyl]-3-methyl-1,3-diazinane-2,4,6-trione (CID 102461213) is 1-[(4-ethenylphenyl)methyl]-3-methyl-1,3-diazinane-2,4,6-trione.
What is the SMILES notation for 1-[(4-ethenylphenyl)methyl]-3-methyl-1,3-diazinane-2,4,6-trione?
The canonical SMILES for 1-[(4-ethenylphenyl)methyl]-3-methyl-1,3-diazinane-2,4,6-trione is C=Cc1ccc(CN2C(=O)CC(=O)N(C)C2=O)cc1.
What is the InChIKey of 1-[(4-ethenylphenyl)methyl]-3-methyl-1,3-diazinane-2,4,6-trione?
The InChIKey is ONNOHSTWEJOMET-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N2O3/c1-3-10-4-6-11(7-5-10)9-16-13(18)8-12(17)15(2)14(16)19/h3-7H,1,8-9H2,2H3.
What are the key properties of 1-[(4-ethenylphenyl)methyl]-3-methyl-1,3-diazinane-2,4,6-trione?
1-[(4-ethenylphenyl)methyl]-3-methyl-1,3-diazinane-2,4,6-trione has a molecular weight of 258.28 g/mol, XLogP of 1.64, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-ethenylphenyl)methyl]-3-methyl-1,3-diazinane-2,4,6-trione is sourced from PubChem (CID 102461213), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).