3-benzyl-1-[(E)-but-2-enyl]imidazolidine-2,4-dione

C14H16N2O2 — CID 142249740

IUPAC3-benzyl-1-[(E)-but-2-enyl]imidazolidine-2,4-dione
SMILESC/C=C/CN1CC(=O)N(Cc2ccccc2)C1=O
InChIInChI=1S/C14H16N2O2/c1-2-3-9-15-11-13(17)16(14(15)18)10-12-7-5-4-6-8-12/h2-8H,9-11H2,1H3/b3-2+
InChIKeyAYYZEYRMMUSZIK-NSCUHMNNSA-N
MW244.29 g/mol
LogP2.03
Rot. Bonds4

About 3-benzyl-1-[(E)-but-2-enyl]imidazolidine-2,4-dione

3-benzyl-1-[(E)-but-2-enyl]imidazolidine-2,4-dione (PubChem CID 142249740) has the molecular formula C14H16N2O2 and a molecular weight of 244.29 g/mol. Its IUPAC name is 3-benzyl-1-[(E)-but-2-enyl]imidazolidine-2,4-dione.

Molecular Properties

Compound Name3-benzyl-1-[(E)-but-2-enyl]imidazolidine-2,4-dione
PubChem CID142249740
Molecular FormulaC14H16N2O2
Molecular Weight244.29 g/mol
Exact Mass244.12
IUPAC Name3-benzyl-1-[(E)-but-2-enyl]imidazolidine-2,4-dione
SMILESC/C=C/CN1CC(=O)N(Cc2ccccc2)C1=O
InChIInChI=1S/C14H16N2O2/c1-2-3-9-15-11-13(17)16(14(15)18)10-12-7-5-4-6-8-12/h2-8H,9-11H2,1H3/b3-2+
InChIKeyAYYZEYRMMUSZIK-NSCUHMNNSA-N
XLogP2.03
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.29
LogP ≤ 52.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydantoin', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

3-benzyl-1-(3,3-dimethyl-2-oxobutyl)imidazolidine-2,4-dione
CID 18725118
2-(3-benzyl-2,4-dioxoimidazolidin-1-yl)acetic acid
CID 70097452
3-benzyl-1-(2-methoxyethyl)imidazolidine-2,4-dione
CID 103935477
1-benzyl-3-ethyl-1,3-diazinane-2,4,6-trione
CID 68636226
ethyl 2-(3-benzyl-2,4-dioxoimidazolidin-1-yl)acetate
CID 70099670
3-benzyl-1-cyclopropylimidazolidine-2,4-dione
CID 87022344
3-[(4-cyclohexylphenyl)methyl]-1-ethylimidazolidine-2,4-dione
CID 166228514
1-benzyl-3-(dimethylaminomethylidene)pyrrolidine-2,5-dione
CID 6611033
1-benzyl-3,3,4,4-tetradeuteriopyrrolidine-2,5-dione
CID 171688557
1,3-bis(3-hydroxyprop-2-enyl)imidazolidine-2,4-dione
CID 70580657
1-benzyl-5-methyl-2-oxo-3H-pyrrole-4-carboxylic acid
CID 23008694
1-but-2-enylpyrrolidine-2,5-dione
CID 70609957

Frequently Asked Questions

What is the IUPAC name of 3-benzyl-1-[(E)-but-2-enyl]imidazolidine-2,4-dione?
The IUPAC name of 3-benzyl-1-[(E)-but-2-enyl]imidazolidine-2,4-dione (CID 142249740) is 3-benzyl-1-[(E)-but-2-enyl]imidazolidine-2,4-dione.
What is the SMILES notation for 3-benzyl-1-[(E)-but-2-enyl]imidazolidine-2,4-dione?
The canonical SMILES for 3-benzyl-1-[(E)-but-2-enyl]imidazolidine-2,4-dione is C/C=C/CN1CC(=O)N(Cc2ccccc2)C1=O.
What is the InChIKey of 3-benzyl-1-[(E)-but-2-enyl]imidazolidine-2,4-dione?
The InChIKey is AYYZEYRMMUSZIK-NSCUHMNNSA-N. The full InChI is InChI=1S/C14H16N2O2/c1-2-3-9-15-11-13(17)16(14(15)18)10-12-7-5-4-6-8-12/h2-8H,9-11H2,1H3/b3-2+.
What are the key properties of 3-benzyl-1-[(E)-but-2-enyl]imidazolidine-2,4-dione?
3-benzyl-1-[(E)-but-2-enyl]imidazolidine-2,4-dione has a molecular weight of 244.29 g/mol, XLogP of 2.03, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-benzyl-1-[(E)-but-2-enyl]imidazolidine-2,4-dione is sourced from PubChem (CID 142249740), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).