[1-(dimethoxymethyl)-2-hydroxy-1,3-diazinan-5-yl]methyl prop-2-enoate

C11H20N2O5 — CID 141288797

IUPAC[1-(dimethoxymethyl)-2-hydroxy-1,3-diazinan-5-yl]methyl prop-2-enoate
SMILESC=CC(=O)OCC1CNC(O)N(C(OC)OC)C1
InChIInChI=1S/C11H20N2O5/c1-4-9(14)18-7-8-5-12-10(15)13(6-8)11(16-2)17-3/h4,8,10-12,15H,1,5-7H2,2-3H3
InChIKeyVXKNPOYBPIGWSL-UHFFFAOYSA-N
MW260.29 g/mol
LogP-0.91
Rot. Bonds6

About [1-(dimethoxymethyl)-2-hydroxy-1,3-diazinan-5-yl]methyl prop-2-enoate

[1-(dimethoxymethyl)-2-hydroxy-1,3-diazinan-5-yl]methyl prop-2-enoate (PubChem CID 141288797) has the molecular formula C11H20N2O5 and a molecular weight of 260.29 g/mol. Its IUPAC name is [1-(dimethoxymethyl)-2-hydroxy-1,3-diazinan-5-yl]methyl prop-2-enoate.

Molecular Properties

Compound Name[1-(dimethoxymethyl)-2-hydroxy-1,3-diazinan-5-yl]methyl prop-2-enoate
PubChem CID141288797
Molecular FormulaC11H20N2O5
Molecular Weight260.29 g/mol
Exact Mass260.14
IUPAC Name[1-(dimethoxymethyl)-2-hydroxy-1,3-diazinan-5-yl]methyl prop-2-enoate
SMILESC=CC(=O)OCC1CNC(O)N(C(OC)OC)C1
InChIInChI=1S/C11H20N2O5/c1-4-9(14)18-7-8-5-12-10(15)13(6-8)11(16-2)17-3/h4,8,10-12,15H,1,5-7H2,2-3H3
InChIKeyVXKNPOYBPIGWSL-UHFFFAOYSA-N
XLogP-0.91
TPSA80.26 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.29
LogP ≤ 5-0.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Analyze [1-(dimethoxymethyl)-2-hydroxy-1,3-diazinan-5-yl]methyl prop-2-enoate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(2,2,6,6-tetramethylpiperidin-4-yl)methyl prop-2-enoate
CID 141004528
[2-hydroxy-4-(prop-2-enoyloxymethyl)cyclohexyl] 2-methylpropanoate
CID 167019590
(1-chloro-2,2,6,6-tetramethylpiperidin-4-yl)methyl prop-2-enoate
CID 141256666
(3-hydroxy-4-methylcyclohexyl)methyl prop-2-enoate
CID 58890213
(1,2,2,6-tetramethylpiperidin-4-yl)methyl prop-2-enoate
CID 141152931
2-[1,5-di(propan-2-yl)-1,3,5-triazinan-2-yl]ethyl prop-2-enoate
CID 66735576
[(1S,4S)-2-bicyclo[2.2.1]hept-5-enyl]methyl prop-2-enoate
CID 11816189
(4-ethenyl-2-methylcyclopentyl)methyl prop-2-enoate
CID 142801588
2-(2-ethylaziridin-1-yl)ethyl prop-2-enoate
CID 21325303
(3-propan-2-yloxiran-2-yl)methyl prop-2-enoate
CID 174899887
ethanol;oxiran-2-ylmethyl prop-2-enoate
CID 87285027
oxiran-2-ylmethyl prop-2-enoate;sulfane
CID 174424436

Frequently Asked Questions

What is the IUPAC name of [1-(dimethoxymethyl)-2-hydroxy-1,3-diazinan-5-yl]methyl prop-2-enoate?
The IUPAC name of [1-(dimethoxymethyl)-2-hydroxy-1,3-diazinan-5-yl]methyl prop-2-enoate (CID 141288797) is [1-(dimethoxymethyl)-2-hydroxy-1,3-diazinan-5-yl]methyl prop-2-enoate.
What is the SMILES notation for [1-(dimethoxymethyl)-2-hydroxy-1,3-diazinan-5-yl]methyl prop-2-enoate?
The canonical SMILES for [1-(dimethoxymethyl)-2-hydroxy-1,3-diazinan-5-yl]methyl prop-2-enoate is C=CC(=O)OCC1CNC(O)N(C(OC)OC)C1.
What is the InChIKey of [1-(dimethoxymethyl)-2-hydroxy-1,3-diazinan-5-yl]methyl prop-2-enoate?
The InChIKey is VXKNPOYBPIGWSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N2O5/c1-4-9(14)18-7-8-5-12-10(15)13(6-8)11(16-2)17-3/h4,8,10-12,15H,1,5-7H2,2-3H3.
What are the key properties of [1-(dimethoxymethyl)-2-hydroxy-1,3-diazinan-5-yl]methyl prop-2-enoate?
[1-(dimethoxymethyl)-2-hydroxy-1,3-diazinan-5-yl]methyl prop-2-enoate has a molecular weight of 260.29 g/mol, XLogP of -0.91, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(dimethoxymethyl)-2-hydroxy-1,3-diazinan-5-yl]methyl prop-2-enoate is sourced from PubChem (CID 141288797), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).