ethenyl acetate;[(1R)-1-(6-oxo-1H-pyrimidin-2-yl)ethyl] acetate

C12H16N2O5 — CID 139934753

IUPACethenyl acetate;[(1R)-1-(6-oxo-1H-pyrimidin-2-yl)ethyl] acetate
SMILESC=COC(C)=O.CC(=O)O[C@H](C)c1nccc(=O)[nH]1
InChIInChI=1S/C8H10N2O3.C4H6O2/c1-5(13-6(2)11)8-9-4-3-7(12)10-8;1-3-6-4(2)5/h3-5H,1-2H3,(H,9,10,12);3H,1H2,2H3/t5-;/m1./s1
InChIKeyXGCZFEIAYUIHDV-NUBCRITNSA-N
MW268.27 g/mol
LogP1.09
Rot. Bonds3

About ethenyl acetate;[(1R)-1-(6-oxo-1H-pyrimidin-2-yl)ethyl] acetate

ethenyl acetate;[(1R)-1-(6-oxo-1H-pyrimidin-2-yl)ethyl] acetate (PubChem CID 139934753) has the molecular formula C12H16N2O5 and a molecular weight of 268.27 g/mol. Its IUPAC name is ethenyl acetate;[(1R)-1-(6-oxo-1H-pyrimidin-2-yl)ethyl] acetate.

Molecular Properties

Compound Nameethenyl acetate;[(1R)-1-(6-oxo-1H-pyrimidin-2-yl)ethyl] acetate
PubChem CID139934753
Molecular FormulaC12H16N2O5
Molecular Weight268.27 g/mol
Exact Mass268.11
IUPAC Nameethenyl acetate;[(1R)-1-(6-oxo-1H-pyrimidin-2-yl)ethyl] acetate
SMILESC=COC(C)=O.CC(=O)O[C@H](C)c1nccc(=O)[nH]1
InChIInChI=1S/C8H10N2O3.C4H6O2/c1-5(13-6(2)11)8-9-4-3-7(12)10-8;1-3-6-4(2)5/h3-5H,1-2H3,(H,9,10,12);3H,1H2,2H3/t5-;/m1./s1
InChIKeyXGCZFEIAYUIHDV-NUBCRITNSA-N
XLogP1.09
TPSA98.35 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.27
LogP ≤ 51.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}

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Related Compounds

(R)-2-(1-Butyryloxy-ethyl)-3H-pyrimidin-4-one
CID 10910803
(R)-2-(1-Acetoxy-ethyl)-3H-pyrimidin-4-one
CID 11105982
2-(1-methoxyethyl)-1H-pyrimidin-6-one
CID 20689207
1-(6-oxo-1H-pyrimidin-2-yl)ethyl acetate
CID 22328641
1-(6-oxo-1H-pyrimidin-2-yl)ethyl butanoate
CID 22328645
ethyl 6-oxo-1H-pyrimidine-2-carboxylate
CID 54150298
1-(s)-(4-Hydroxy-pyrimidin-2-yl)-ethyl butyrate
CID 54317907
Isopropyl 2-(4-hydroxypyrimidin-2-yl)acetate
CID 91042281
ethyl butanoate;[(1R)-1-(6-oxo-1H-pyrimidin-2-yl)ethyl] butanoate
CID 139934750
2-(propan-2-yloxymethyl)-1H-pyrimidin-6-one
CID 140930143
tert-butyl N-[3-[(6-oxo-1H-pyrimidin-2-yl)methoxy]propyl]carbamate
CID 167230476
butyl 6-oxo-1H-pyrimidine-2-carboxylate
CID 172999767

Frequently Asked Questions

What is the IUPAC name of ethenyl acetate;[(1R)-1-(6-oxo-1H-pyrimidin-2-yl)ethyl] acetate?
The IUPAC name of ethenyl acetate;[(1R)-1-(6-oxo-1H-pyrimidin-2-yl)ethyl] acetate (CID 139934753) is ethenyl acetate;[(1R)-1-(6-oxo-1H-pyrimidin-2-yl)ethyl] acetate.
What is the SMILES notation for ethenyl acetate;[(1R)-1-(6-oxo-1H-pyrimidin-2-yl)ethyl] acetate?
The canonical SMILES for ethenyl acetate;[(1R)-1-(6-oxo-1H-pyrimidin-2-yl)ethyl] acetate is C=COC(C)=O.CC(=O)O[C@H](C)c1nccc(=O)[nH]1.
What is the InChIKey of ethenyl acetate;[(1R)-1-(6-oxo-1H-pyrimidin-2-yl)ethyl] acetate?
The InChIKey is XGCZFEIAYUIHDV-NUBCRITNSA-N. The full InChI is InChI=1S/C8H10N2O3.C4H6O2/c1-5(13-6(2)11)8-9-4-3-7(12)10-8;1-3-6-4(2)5/h3-5H,1-2H3,(H,9,10,12);3H,1H2,2H3/t5-;/m1./s1.
What are the key properties of ethenyl acetate;[(1R)-1-(6-oxo-1H-pyrimidin-2-yl)ethyl] acetate?
ethenyl acetate;[(1R)-1-(6-oxo-1H-pyrimidin-2-yl)ethyl] acetate has a molecular weight of 268.27 g/mol, XLogP of 1.09, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethenyl acetate;[(1R)-1-(6-oxo-1H-pyrimidin-2-yl)ethyl] acetate is sourced from PubChem (CID 139934753), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).