1-(1,2-diacetyldiazinan-3-yl)ethanone

C10H16N2O3 — CID 20583830

IUPAC1-(1,2-diacetyldiazinan-3-yl)ethanone
SMILESCC(=O)C1CCCN(C(C)=O)N1C(C)=O
InChIInChI=1S/C10H16N2O3/c1-7(13)10-5-4-6-11(8(2)14)12(10)9(3)15/h10H,4-6H2,1-3H3
InChIKeyDDTHVUWAZIKWRI-UHFFFAOYSA-N
MW212.25 g/mol
LogP0.35
Rot. Bonds1

About 1-(1,2-diacetyldiazinan-3-yl)ethanone

1-(1,2-diacetyldiazinan-3-yl)ethanone (PubChem CID 20583830) has the molecular formula C10H16N2O3 and a molecular weight of 212.25 g/mol. Its IUPAC name is 1-(1,2-diacetyldiazinan-3-yl)ethanone.

Molecular Properties

Compound Name1-(1,2-diacetyldiazinan-3-yl)ethanone
PubChem CID20583830
Molecular FormulaC10H16N2O3
Molecular Weight212.25 g/mol
Exact Mass212.12
IUPAC Name1-(1,2-diacetyldiazinan-3-yl)ethanone
SMILESCC(=O)C1CCCN(C(C)=O)N1C(C)=O
InChIInChI=1S/C10H16N2O3/c1-7(13)10-5-4-6-11(8(2)14)12(10)9(3)15/h10H,4-6H2,1-3H3
InChIKeyDDTHVUWAZIKWRI-UHFFFAOYSA-N
XLogP0.35
TPSA57.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.25
LogP ≤ 50.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-[(2R)-1-acetylpiperidin-2-yl]ethanone
CID 58356057
1-[(2R)-1-propan-2-ylpyrrolidin-2-yl]ethanone
CID 59945997
1-[(2S)-2-acetylpyrrolidin-1-yl]propane-1,2-dione
CID 59063523
ethane;1-[1-(1-hydroxyethyl)pyrrolidin-2-yl]ethanone
CID 142147232
1-[(2S)-2-acetylpyrrolidin-1-yl]prop-2-en-1-one
CID 176716114
1-(2-acetylpyrrolidin-1-yl)-2-aminoethanone;ethane
CID 166119423
butan-2-one;ethane;1-(1-methylpyrrolidin-2-yl)ethanone
CID 91387688
(2S)-1-[(2R)-2-acetylpyrrolidin-1-yl]-2-aminopropan-1-one
CID 59945910
2-methylguanidine;1-(1-methylpyrrolidin-2-yl)ethanone
CID 143816509
benzyl (3S)-3-acetyl-2-(3-phenylpropanoyl)diazinane-1-carboxylate
CID 91057408
1-[1-(methylamino)piperidin-2-yl]ethanone
CID 91056798
ethane;1-(1-methylpyrrolidin-2-yl)ethanone;propanal
CID 143105451

Frequently Asked Questions

What is the IUPAC name of 1-(1,2-diacetyldiazinan-3-yl)ethanone?
The IUPAC name of 1-(1,2-diacetyldiazinan-3-yl)ethanone (CID 20583830) is 1-(1,2-diacetyldiazinan-3-yl)ethanone.
What is the SMILES notation for 1-(1,2-diacetyldiazinan-3-yl)ethanone?
The canonical SMILES for 1-(1,2-diacetyldiazinan-3-yl)ethanone is CC(=O)C1CCCN(C(C)=O)N1C(C)=O.
What is the InChIKey of 1-(1,2-diacetyldiazinan-3-yl)ethanone?
The InChIKey is DDTHVUWAZIKWRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N2O3/c1-7(13)10-5-4-6-11(8(2)14)12(10)9(3)15/h10H,4-6H2,1-3H3.
What are the key properties of 1-(1,2-diacetyldiazinan-3-yl)ethanone?
1-(1,2-diacetyldiazinan-3-yl)ethanone has a molecular weight of 212.25 g/mol, XLogP of 0.35, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,2-diacetyldiazinan-3-yl)ethanone is sourced from PubChem (CID 20583830), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).