5-acetyl-4-ethoxy-6-(furan-2-yl)-1,3-diazinan-2-one

C12H16N2O4 — CID 102399859

IUPAC5-acetyl-4-ethoxy-6-(furan-2-yl)-1,3-diazinan-2-one
SMILESCCOC1NC(=O)NC(c2ccco2)C1C(C)=O
InChIInChI=1S/C12H16N2O4/c1-3-17-11-9(7(2)15)10(13-12(16)14-11)8-5-4-6-18-8/h4-6,9-11H,3H2,1-2H3,(H2,13,14,16)
InChIKeyZMWBMKWJTGADNV-UHFFFAOYSA-N
MW252.27 g/mol
LogP1.20
Rot. Bonds4

About 5-acetyl-4-ethoxy-6-(furan-2-yl)-1,3-diazinan-2-one

5-acetyl-4-ethoxy-6-(furan-2-yl)-1,3-diazinan-2-one (PubChem CID 102399859) has the molecular formula C12H16N2O4 and a molecular weight of 252.27 g/mol. Its IUPAC name is 5-acetyl-4-ethoxy-6-(furan-2-yl)-1,3-diazinan-2-one.

Molecular Properties

Compound Name5-acetyl-4-ethoxy-6-(furan-2-yl)-1,3-diazinan-2-one
PubChem CID102399859
Molecular FormulaC12H16N2O4
Molecular Weight252.27 g/mol
Exact Mass252.11
IUPAC Name5-acetyl-4-ethoxy-6-(furan-2-yl)-1,3-diazinan-2-one
SMILESCCOC1NC(=O)NC(c2ccco2)C1C(C)=O
InChIInChI=1S/C12H16N2O4/c1-3-17-11-9(7(2)15)10(13-12(16)14-11)8-5-4-6-18-8/h4-6,9-11H,3H2,1-2H3,(H2,13,14,16)
InChIKeyZMWBMKWJTGADNV-UHFFFAOYSA-N
XLogP1.20
TPSA80.57 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.27
LogP ≤ 51.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

5-(furan-2-yl)-2-oxoimidazolidine-4-carboxylic acid
CID 112710445
ethyl (4S,5R,6S)-6-(furan-2-yl)-4-hydroxy-2-oxo-4-(trichloromethyl)-1,3-diazinane-5-carboxylate
CID 101357408
(3S,4S)-4-(furan-2-yl)-3-prop-1-en-2-ylazetidin-2-one
CID 131123234
ethyl 6-(furan-2-yl)-4-methyl-2-oxo-5,6-dihydro-1H-pyrimidine-5-carboxylate
CID 90759980
4-ethoxy-5-hydroxyimidazolidin-2-one
CID 139891080
ethyl 5-acetyl-4-(furan-2-yl)-2,6-dimethyl-1,4-dihydropyridine-3-carboxylate
CID 102176360
(6R)-5-acetyl-3-ethyl-6-(furan-2-yl)-4-methyl-1,6-dihydropyrimidin-2-one
CID 16759650
3-amino-4-(furan-2-yl)azetidin-2-one
CID 82417177
ethyl (1R,3S,3aS,6aS)-3-ethyl-1-(furan-2-yl)-5-methyl-4,6-dioxo-1,2,3a,6a-tetrahydropyrrolo[3,4-c]pyrrole-3-carboxylate
CID 7400332
propyl 4-(furan-2-yl)-6-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate
CID 15524546
4-O-tert-butyl 2-O-ethyl (2R,4R,5S)-5-(furan-2-yl)pyrrolidine-2,4-dicarboxylate
CID 30772136
trans-ethyl (2R,4R)-3-(1-ethoxyethenyl)-2,4-bis(furan-2-yl)cyclobutane-1-carboxylate
CID 137384255

Frequently Asked Questions

What is the IUPAC name of 5-acetyl-4-ethoxy-6-(furan-2-yl)-1,3-diazinan-2-one?
The IUPAC name of 5-acetyl-4-ethoxy-6-(furan-2-yl)-1,3-diazinan-2-one (CID 102399859) is 5-acetyl-4-ethoxy-6-(furan-2-yl)-1,3-diazinan-2-one.
What is the SMILES notation for 5-acetyl-4-ethoxy-6-(furan-2-yl)-1,3-diazinan-2-one?
The canonical SMILES for 5-acetyl-4-ethoxy-6-(furan-2-yl)-1,3-diazinan-2-one is CCOC1NC(=O)NC(c2ccco2)C1C(C)=O.
What is the InChIKey of 5-acetyl-4-ethoxy-6-(furan-2-yl)-1,3-diazinan-2-one?
The InChIKey is ZMWBMKWJTGADNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2O4/c1-3-17-11-9(7(2)15)10(13-12(16)14-11)8-5-4-6-18-8/h4-6,9-11H,3H2,1-2H3,(H2,13,14,16).
What are the key properties of 5-acetyl-4-ethoxy-6-(furan-2-yl)-1,3-diazinan-2-one?
5-acetyl-4-ethoxy-6-(furan-2-yl)-1,3-diazinan-2-one has a molecular weight of 252.27 g/mol, XLogP of 1.20, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-acetyl-4-ethoxy-6-(furan-2-yl)-1,3-diazinan-2-one is sourced from PubChem (CID 102399859), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).