2-[3-(2-hydroxyphenyl)-2-oxo-1,3-diazinan-1-yl]acetaldehyde

C12H14N2O3 — CID 84796829

IUPAC2-[3-(2-hydroxyphenyl)-2-oxo-1,3-diazinan-1-yl]acetaldehyde
SMILESO=CCN1CCCN(c2ccccc2O)C1=O
InChIInChI=1S/C12H14N2O3/c15-9-8-13-6-3-7-14(12(13)17)10-4-1-2-5-11(10)16/h1-2,4-5,9,16H,3,6-8H2
InChIKeyGZPRYTJQFZXQAB-UHFFFAOYSA-N
MW234.26 g/mol
LogP1.22
Rot. Bonds3

About 2-[3-(2-hydroxyphenyl)-2-oxo-1,3-diazinan-1-yl]acetaldehyde

2-[3-(2-hydroxyphenyl)-2-oxo-1,3-diazinan-1-yl]acetaldehyde (PubChem CID 84796829) has the molecular formula C12H14N2O3 and a molecular weight of 234.26 g/mol. Its IUPAC name is 2-[3-(2-hydroxyphenyl)-2-oxo-1,3-diazinan-1-yl]acetaldehyde.

Molecular Properties

Compound Name2-[3-(2-hydroxyphenyl)-2-oxo-1,3-diazinan-1-yl]acetaldehyde
PubChem CID84796829
Molecular FormulaC12H14N2O3
Molecular Weight234.26 g/mol
Exact Mass234.10
IUPAC Name2-[3-(2-hydroxyphenyl)-2-oxo-1,3-diazinan-1-yl]acetaldehyde
SMILESO=CCN1CCCN(c2ccccc2O)C1=O
InChIInChI=1S/C12H14N2O3/c15-9-8-13-6-3-7-14(12(13)17)10-4-1-2-5-11(10)16/h1-2,4-5,9,16H,3,6-8H2
InChIKeyGZPRYTJQFZXQAB-UHFFFAOYSA-N
XLogP1.22
TPSA60.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.26
LogP ≤ 51.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-[3-(2-bromophenyl)-2-oxoimidazolidin-1-yl]acetaldehyde
CID 84812554
1-(2-hydroxyphenyl)-3-[2-(methylamino)ethyl]imidazolidin-2-one
CID 84797425
1-(2-hydroxyphenyl)pyrrolidin-2-one
CID 695303
2-(3-tert-butyl-2-oxo-1,3-diazinan-1-yl)acetaldehyde
CID 84774961
2-(2-oxo-3-phenyl-1,3-diazinan-1-yl)acetic acid
CID 43831623
3-[3-(2-fluorophenyl)-2-oxo-1,3-diazinan-1-yl]-2-methylpropanoic acid
CID 67661314
2-[3-(3-fluorophenyl)-2-oxoimidazolidin-1-yl]acetaldehyde
CID 84788522
1-(2-hydroxyphenyl)-1,3-diazinane-2,4-dione
CID 15060157
2-(2-oxo-3-propylimidazolidin-1-yl)acetaldehyde
CID 84765786
2-[3-[[3-(2-hydroxyphenyl)-2H-benzimidazol-1-yl]methyl]-2H-benzimidazol-1-yl]phenol
CID 176843415
N-[2-[3-[(2-chlorophenyl)methyl]-2-oxo-1,3-diazinan-1-yl]phenyl]benzamide
CID 46069786
N-[2-[3-[(3,5-dimethylphenyl)methyl]-2-oxo-1,3-diazinan-1-yl]phenyl]-2-phenylacetamide
CID 42868771

Frequently Asked Questions

What is the IUPAC name of 2-[3-(2-hydroxyphenyl)-2-oxo-1,3-diazinan-1-yl]acetaldehyde?
The IUPAC name of 2-[3-(2-hydroxyphenyl)-2-oxo-1,3-diazinan-1-yl]acetaldehyde (CID 84796829) is 2-[3-(2-hydroxyphenyl)-2-oxo-1,3-diazinan-1-yl]acetaldehyde.
What is the SMILES notation for 2-[3-(2-hydroxyphenyl)-2-oxo-1,3-diazinan-1-yl]acetaldehyde?
The canonical SMILES for 2-[3-(2-hydroxyphenyl)-2-oxo-1,3-diazinan-1-yl]acetaldehyde is O=CCN1CCCN(c2ccccc2O)C1=O.
What is the InChIKey of 2-[3-(2-hydroxyphenyl)-2-oxo-1,3-diazinan-1-yl]acetaldehyde?
The InChIKey is GZPRYTJQFZXQAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N2O3/c15-9-8-13-6-3-7-14(12(13)17)10-4-1-2-5-11(10)16/h1-2,4-5,9,16H,3,6-8H2.
What are the key properties of 2-[3-(2-hydroxyphenyl)-2-oxo-1,3-diazinan-1-yl]acetaldehyde?
2-[3-(2-hydroxyphenyl)-2-oxo-1,3-diazinan-1-yl]acetaldehyde has a molecular weight of 234.26 g/mol, XLogP of 1.22, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(2-hydroxyphenyl)-2-oxo-1,3-diazinan-1-yl]acetaldehyde is sourced from PubChem (CID 84796829), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).