1-(2-hydroxy-1-phenylethyl)-1,3-diazinane-2,4,6-trione

C12H12N2O4 — CID 70627664

IUPAC1-(2-hydroxy-1-phenylethyl)-1,3-diazinane-2,4,6-trione
SMILESO=C1CC(=O)N(C(CO)c2ccccc2)C(=O)N1
InChIInChI=1S/C12H12N2O4/c15-7-9(8-4-2-1-3-5-8)14-11(17)6-10(16)13-12(14)18/h1-5,9,15H,6-7H2,(H,13,16,18)
InChIKeyXRYHCFSHICWKBW-UHFFFAOYSA-N
MW248.24 g/mol
LogP0.19
Rot. Bonds3

About 1-(2-hydroxy-1-phenylethyl)-1,3-diazinane-2,4,6-trione

1-(2-hydroxy-1-phenylethyl)-1,3-diazinane-2,4,6-trione (PubChem CID 70627664) has the molecular formula C12H12N2O4 and a molecular weight of 248.24 g/mol. Its IUPAC name is 1-(2-hydroxy-1-phenylethyl)-1,3-diazinane-2,4,6-trione.

Molecular Properties

Compound Name1-(2-hydroxy-1-phenylethyl)-1,3-diazinane-2,4,6-trione
PubChem CID70627664
Molecular FormulaC12H12N2O4
Molecular Weight248.24 g/mol
Exact Mass248.08
IUPAC Name1-(2-hydroxy-1-phenylethyl)-1,3-diazinane-2,4,6-trione
SMILESO=C1CC(=O)N(C(CO)c2ccccc2)C(=O)N1
InChIInChI=1S/C12H12N2O4/c15-7-9(8-4-2-1-3-5-8)14-11(17)6-10(16)13-12(14)18/h1-5,9,15H,6-7H2,(H,13,16,18)
InChIKeyXRYHCFSHICWKBW-UHFFFAOYSA-N
XLogP0.19
TPSA86.71 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.24
LogP ≤ 50.19
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

1-[(1R)-2-hydroxy-1-phenylethyl]piperidine-2,6-dione
CID 107863789
1-[(1S)-2-hydroxy-1-phenylethyl]pyrrolidine-2,5-dione
CID 71354940
8-[(1R)-2-hydroxy-1-phenylethyl]-8-azaspiro[4.5]decane-7,9-dione
CID 107863747
1-[(1R)-2-hydroxy-1-phenylethyl]-4-methylpiperidine-2,6-dione
CID 95027251
3-[(1S)-2-hydroxy-1-phenylethyl]-6,6-dimethyl-3-azabicyclo[3.1.0]hexane-2,4-dione
CID 107863631
(4S)-1'-[(1R)-2-hydroxy-1-phenylethyl]spiro[2,3-dihydro-1H-naphthalene-4,6'-piperidine]-2'-one
CID 11759472
1-(2-hydroxy-1-phenylethyl)imidazolidin-2-one
CID 112756247
1-[(1R)-2-hydroxy-1-phenylethyl]imidazolidin-2-one
CID 107863748
1-(1-thiophen-2-ylbutyl)-1,3-diazinane-2,4,6-trione
CID 112597914
(2S)-2-phenyl-2-piperazin-1-ylethanol;hydrochloride
CID 171183201
1-[(1R)-2-hydroxy-1-phenylethyl]-3-methylpyrrole-2,5-dione
CID 107863751
ethyl 1-[(1S)-2-hydroxy-1-phenylethyl]-6-methyl-2-oxo-3,4-dihydropyridine-5-carboxylate
CID 101250288

Frequently Asked Questions

What is the IUPAC name of 1-(2-hydroxy-1-phenylethyl)-1,3-diazinane-2,4,6-trione?
The IUPAC name of 1-(2-hydroxy-1-phenylethyl)-1,3-diazinane-2,4,6-trione (CID 70627664) is 1-(2-hydroxy-1-phenylethyl)-1,3-diazinane-2,4,6-trione.
What is the SMILES notation for 1-(2-hydroxy-1-phenylethyl)-1,3-diazinane-2,4,6-trione?
The canonical SMILES for 1-(2-hydroxy-1-phenylethyl)-1,3-diazinane-2,4,6-trione is O=C1CC(=O)N(C(CO)c2ccccc2)C(=O)N1.
What is the InChIKey of 1-(2-hydroxy-1-phenylethyl)-1,3-diazinane-2,4,6-trione?
The InChIKey is XRYHCFSHICWKBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12N2O4/c15-7-9(8-4-2-1-3-5-8)14-11(17)6-10(16)13-12(14)18/h1-5,9,15H,6-7H2,(H,13,16,18).
What are the key properties of 1-(2-hydroxy-1-phenylethyl)-1,3-diazinane-2,4,6-trione?
1-(2-hydroxy-1-phenylethyl)-1,3-diazinane-2,4,6-trione has a molecular weight of 248.24 g/mol, XLogP of 0.19, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-hydroxy-1-phenylethyl)-1,3-diazinane-2,4,6-trione is sourced from PubChem (CID 70627664), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).