1-[(E)-3-phenylprop-2-enyl]-3-propan-2-ylimidazolidine-2,4,5-trione

C15H16N2O3 — CID 7975819

IUPAC1-[(E)-3-phenylprop-2-enyl]-3-propan-2-ylimidazolidine-2,4,5-trione
SMILESCC(C)N1C(=O)C(=O)N(C/C=C/c2ccccc2)C1=O
InChIInChI=1S/C15H16N2O3/c1-11(2)17-14(19)13(18)16(15(17)20)10-6-9-12-7-4-3-5-8-12/h3-9,11H,10H2,1-2H3/b9-6+
InChIKeyJYVJMXRMAPSWOH-RMKNXTFCSA-N
MW272.30 g/mol
LogP1.90
Rot. Bonds4

About 1-[(E)-3-phenylprop-2-enyl]-3-propan-2-ylimidazolidine-2,4,5-trione

1-[(E)-3-phenylprop-2-enyl]-3-propan-2-ylimidazolidine-2,4,5-trione (PubChem CID 7975819) has the molecular formula C15H16N2O3 and a molecular weight of 272.30 g/mol. Its IUPAC name is 1-[(E)-3-phenylprop-2-enyl]-3-propan-2-ylimidazolidine-2,4,5-trione.

Molecular Properties

Compound Name1-[(E)-3-phenylprop-2-enyl]-3-propan-2-ylimidazolidine-2,4,5-trione
PubChem CID7975819
Molecular FormulaC15H16N2O3
Molecular Weight272.30 g/mol
Exact Mass272.12
IUPAC Name1-[(E)-3-phenylprop-2-enyl]-3-propan-2-ylimidazolidine-2,4,5-trione
SMILESCC(C)N1C(=O)C(=O)N(C/C=C/c2ccccc2)C1=O
InChIInChI=1S/C15H16N2O3/c1-11(2)17-14(19)13(18)16(15(17)20)10-6-9-12-7-4-3-5-8-12/h3-9,11H,10H2,1-2H3/b9-6+
InChIKeyJYVJMXRMAPSWOH-RMKNXTFCSA-N
XLogP1.90
TPSA57.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.30
LogP ≤ 51.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-[(E)-3-phenylprop-2-enyl]pyridin-4-one
CID 116622263
N-methyl-N-(1-phenylethyl)-2-(2,4,5-trioxo-3-propan-2-ylimidazolidin-1-yl)acetamide
CID 56809949
2-[(2R)-1-oxo-1-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]propan-2-yl]isoindole-1,3-dione
CID 2301572
1-(3-phenylprop-2-enyl)-3,5-bis(prop-2-enyl)-1,3,5-triazinane-2,4,6-trione
CID 175517737
1,1-dioxo-2-[(E)-3-phenylprop-2-enyl]-1,2-benzothiazol-3-one
CID 8708940
(2R)-1-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]propan-2-ol
CID 95322641
1-[(E)-3-(4-methylphenyl)prop-2-enyl]piperidine-2,6-dione
CID 173100356
2-[(E)-3-(4-fluorophenyl)prop-2-enyl]isoindole-1,3-dione
CID 23047146
3-methyl-4-oxo-5-(3-phenylprop-2-enyl)-2,3-dihydro-1,5-benzodiazepine-1-carbaldehyde
CID 73403160
1-[(2R)-4-phenylbutan-2-yl]-4-[(E)-3-phenylprop-2-enyl]piperazine
CID 1378336
3-hydroxy-1-[4-(3-phenylprop-2-enyl)piperazin-1-yl]butan-1-one
CID 71393433
5-ethyl-5-phenyl-3-(3-phenylprop-2-enyl)imidazolidine-2,4-dione
CID 71954685

Frequently Asked Questions

What is the IUPAC name of 1-[(E)-3-phenylprop-2-enyl]-3-propan-2-ylimidazolidine-2,4,5-trione?
The IUPAC name of 1-[(E)-3-phenylprop-2-enyl]-3-propan-2-ylimidazolidine-2,4,5-trione (CID 7975819) is 1-[(E)-3-phenylprop-2-enyl]-3-propan-2-ylimidazolidine-2,4,5-trione.
What is the SMILES notation for 1-[(E)-3-phenylprop-2-enyl]-3-propan-2-ylimidazolidine-2,4,5-trione?
The canonical SMILES for 1-[(E)-3-phenylprop-2-enyl]-3-propan-2-ylimidazolidine-2,4,5-trione is CC(C)N1C(=O)C(=O)N(C/C=C/c2ccccc2)C1=O.
What is the InChIKey of 1-[(E)-3-phenylprop-2-enyl]-3-propan-2-ylimidazolidine-2,4,5-trione?
The InChIKey is JYVJMXRMAPSWOH-RMKNXTFCSA-N. The full InChI is InChI=1S/C15H16N2O3/c1-11(2)17-14(19)13(18)16(15(17)20)10-6-9-12-7-4-3-5-8-12/h3-9,11H,10H2,1-2H3/b9-6+.
What are the key properties of 1-[(E)-3-phenylprop-2-enyl]-3-propan-2-ylimidazolidine-2,4,5-trione?
1-[(E)-3-phenylprop-2-enyl]-3-propan-2-ylimidazolidine-2,4,5-trione has a molecular weight of 272.30 g/mol, XLogP of 1.90, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(E)-3-phenylprop-2-enyl]-3-propan-2-ylimidazolidine-2,4,5-trione is sourced from PubChem (CID 7975819), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).