5,5-diethyl-3-(oxolan-3-yl)-1,3-diazinane-2,4-dione

C12H20N2O3 — CID 115431325

IUPAC5,5-diethyl-3-(oxolan-3-yl)-1,3-diazinane-2,4-dione
SMILESCCC1(CC)CNC(=O)N(C2CCOC2)C1=O
InChIInChI=1S/C12H20N2O3/c1-3-12(4-2)8-13-11(16)14(10(12)15)9-5-6-17-7-9/h9H,3-8H2,1-2H3,(H,13,16)
InChIKeyZAEMIWOUAOYSBY-UHFFFAOYSA-N
MW240.30 g/mol
LogP1.13
Rot. Bonds3

About 5,5-diethyl-3-(oxolan-3-yl)-1,3-diazinane-2,4-dione

5,5-diethyl-3-(oxolan-3-yl)-1,3-diazinane-2,4-dione (PubChem CID 115431325) has the molecular formula C12H20N2O3 and a molecular weight of 240.30 g/mol. Its IUPAC name is 5,5-diethyl-3-(oxolan-3-yl)-1,3-diazinane-2,4-dione.

Molecular Properties

Compound Name5,5-diethyl-3-(oxolan-3-yl)-1,3-diazinane-2,4-dione
PubChem CID115431325
Molecular FormulaC12H20N2O3
Molecular Weight240.30 g/mol
Exact Mass240.15
IUPAC Name5,5-diethyl-3-(oxolan-3-yl)-1,3-diazinane-2,4-dione
SMILESCCC1(CC)CNC(=O)N(C2CCOC2)C1=O
InChIInChI=1S/C12H20N2O3/c1-3-12(4-2)8-13-11(16)14(10(12)15)9-5-6-17-7-9/h9H,3-8H2,1-2H3,(H,13,16)
InChIKeyZAEMIWOUAOYSBY-UHFFFAOYSA-N
XLogP1.13
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.30
LogP ≤ 51.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-cyclopentyl-5,5-diethyl-1,3-diazinane-2,4-dione
CID 113308801
4-(oxolan-3-yl)-2,4-diazaspiro[5.6]dodecane-3,5-dione
CID 115444841
8-(oxolan-3-yl)-6,8-diazaspiro[3.6]decane-7,9-dione
CID 81167346
6-methoxy-3-(oxolan-3-yl)-1,3-diazepane-2,4-dione
CID 103160223
3-(oxolan-3-yl)-1,3-diazepane-2,4-dione
CID 80541121
3,6-diethyl-6-methyl-1-(oxolan-3-yl)piperazine-2,5-dione
CID 64902249
2-cyclopentyl-5-ethyl-5-methyl-3-(oxolan-3-yl)imidazolidin-4-one
CID 83270682
3-ethyl-3-methyl-1-(oxolan-3-yl)-4H-1,4-benzodiazepine-2,5-dione
CID 79909610
1-(oxolan-3-yl)piperazine-2,5-dione
CID 64873450
6-ethyl-6-methyl-1-(oxolan-3-yl)-3-propan-2-ylpiperazine-2,5-dione
CID 64874208
6-ethyl-1-(oxolan-3-yl)piperazine-2,5-dione
CID 64878893
2-(oxolan-3-yl)-5,7,8,8a-tetrahydroimidazo[1,5-a]pyrazine-1,3,6-trione
CID 107439519

Frequently Asked Questions

What is the IUPAC name of 5,5-diethyl-3-(oxolan-3-yl)-1,3-diazinane-2,4-dione?
The IUPAC name of 5,5-diethyl-3-(oxolan-3-yl)-1,3-diazinane-2,4-dione (CID 115431325) is 5,5-diethyl-3-(oxolan-3-yl)-1,3-diazinane-2,4-dione.
What is the SMILES notation for 5,5-diethyl-3-(oxolan-3-yl)-1,3-diazinane-2,4-dione?
The canonical SMILES for 5,5-diethyl-3-(oxolan-3-yl)-1,3-diazinane-2,4-dione is CCC1(CC)CNC(=O)N(C2CCOC2)C1=O.
What is the InChIKey of 5,5-diethyl-3-(oxolan-3-yl)-1,3-diazinane-2,4-dione?
The InChIKey is ZAEMIWOUAOYSBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2O3/c1-3-12(4-2)8-13-11(16)14(10(12)15)9-5-6-17-7-9/h9H,3-8H2,1-2H3,(H,13,16).
What are the key properties of 5,5-diethyl-3-(oxolan-3-yl)-1,3-diazinane-2,4-dione?
5,5-diethyl-3-(oxolan-3-yl)-1,3-diazinane-2,4-dione has a molecular weight of 240.30 g/mol, XLogP of 1.13, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5,5-diethyl-3-(oxolan-3-yl)-1,3-diazinane-2,4-dione is sourced from PubChem (CID 115431325), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).