5-acetyl-4-ethoxy-6-[(E)-2-phenylethenyl]-1,3-diazinan-2-one

C16H20N2O3 — CID 102399861

IUPAC5-acetyl-4-ethoxy-6-[(E)-2-phenylethenyl]-1,3-diazinan-2-one
SMILESCCOC1NC(=O)NC(/C=C/c2ccccc2)C1C(C)=O
InChIInChI=1S/C16H20N2O3/c1-3-21-15-14(11(2)19)13(17-16(20)18-15)10-9-12-7-5-4-6-8-12/h4-10,13-15H,3H2,1-2H3,(H2,17,18,20)/b10-9+
InChIKeyXYUMUFTVRDDKAC-MDZDMXLPSA-N
MW288.35 g/mol
LogP1.95
Rot. Bonds5

About 5-acetyl-4-ethoxy-6-[(E)-2-phenylethenyl]-1,3-diazinan-2-one

5-acetyl-4-ethoxy-6-[(E)-2-phenylethenyl]-1,3-diazinan-2-one (PubChem CID 102399861) has the molecular formula C16H20N2O3 and a molecular weight of 288.35 g/mol. Its IUPAC name is 5-acetyl-4-ethoxy-6-[(E)-2-phenylethenyl]-1,3-diazinan-2-one.

Molecular Properties

Compound Name5-acetyl-4-ethoxy-6-[(E)-2-phenylethenyl]-1,3-diazinan-2-one
PubChem CID102399861
Molecular FormulaC16H20N2O3
Molecular Weight288.35 g/mol
Exact Mass288.15
IUPAC Name5-acetyl-4-ethoxy-6-[(E)-2-phenylethenyl]-1,3-diazinan-2-one
SMILESCCOC1NC(=O)NC(/C=C/c2ccccc2)C1C(C)=O
InChIInChI=1S/C16H20N2O3/c1-3-21-15-14(11(2)19)13(17-16(20)18-15)10-9-12-7-5-4-6-8-12/h4-10,13-15H,3H2,1-2H3,(H2,17,18,20)/b10-9+
InChIKeyXYUMUFTVRDDKAC-MDZDMXLPSA-N
XLogP1.95
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.35
LogP ≤ 51.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

ethyl N-[2-oxo-4-(2-phenylethenyl)azetidin-3-yl]carbamate
CID 70500389
3-ethyl-4-(2-phenylethenyl)azetidin-2-one
CID 54427704
(3S,4R)-3-methoxy-4-(2-phenylethenyl)azetidin-2-one
CID 67831878
ethyl acetate;stilbene
CID 159556390
ethyl 4-methyl-6-(2-phenylethenyl)-2-sulfanylidene-5,6-dihydro-1H-pyrimidine-5-carboxylate
CID 4921449
(4R,4aR,8aR)-4-[(E)-2-phenylethenyl]-1,3,4,4a,5,6,7,8a-octahydropyrano[2,3-d]pyrimidin-2-one
CID 102414577
diethyl (4R,5R)-2-(2-phenylethenyl)-1,3-dioxolane-4,5-dicarboxylate
CID 54092539
4-[(E)-2-phenylethenyl]-3-propan-2-ylazetidin-2-one
CID 70066029
acetic acid;stilbene
CID 172803728
[(1S)-1-[(3S,4S)-2-oxo-4-[(E)-2-phenylethenyl]azetidin-3-yl]ethyl] dodecanoate
CID 10597081
ethyl carbamate;stilbene
CID 175156091
N-[(3R,4S)-2-oxo-4-[(E)-2-phenylethenyl]azetidin-3-yl]-2-phenoxyacetamide
CID 70574394

Frequently Asked Questions

What is the IUPAC name of 5-acetyl-4-ethoxy-6-[(E)-2-phenylethenyl]-1,3-diazinan-2-one?
The IUPAC name of 5-acetyl-4-ethoxy-6-[(E)-2-phenylethenyl]-1,3-diazinan-2-one (CID 102399861) is 5-acetyl-4-ethoxy-6-[(E)-2-phenylethenyl]-1,3-diazinan-2-one.
What is the SMILES notation for 5-acetyl-4-ethoxy-6-[(E)-2-phenylethenyl]-1,3-diazinan-2-one?
The canonical SMILES for 5-acetyl-4-ethoxy-6-[(E)-2-phenylethenyl]-1,3-diazinan-2-one is CCOC1NC(=O)NC(/C=C/c2ccccc2)C1C(C)=O.
What is the InChIKey of 5-acetyl-4-ethoxy-6-[(E)-2-phenylethenyl]-1,3-diazinan-2-one?
The InChIKey is XYUMUFTVRDDKAC-MDZDMXLPSA-N. The full InChI is InChI=1S/C16H20N2O3/c1-3-21-15-14(11(2)19)13(17-16(20)18-15)10-9-12-7-5-4-6-8-12/h4-10,13-15H,3H2,1-2H3,(H2,17,18,20)/b10-9+.
What are the key properties of 5-acetyl-4-ethoxy-6-[(E)-2-phenylethenyl]-1,3-diazinan-2-one?
5-acetyl-4-ethoxy-6-[(E)-2-phenylethenyl]-1,3-diazinan-2-one has a molecular weight of 288.35 g/mol, XLogP of 1.95, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-acetyl-4-ethoxy-6-[(E)-2-phenylethenyl]-1,3-diazinan-2-one is sourced from PubChem (CID 102399861), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).