1-(3-acetyl-5-hydroxy-1,3-diazinan-1-yl)ethanone

C8H14N2O3 — CID 10845230

IUPAC1-(3-acetyl-5-hydroxy-1,3-diazinan-1-yl)ethanone
SMILESCC(=O)N1CC(O)CN(C(C)=O)C1
InChIInChI=1S/C8H14N2O3/c1-6(11)9-3-8(13)4-10(5-9)7(2)12/h8,13H,3-5H2,1-2H3
InChIKeyMMKBXSSBUWACPX-UHFFFAOYSA-N
MW186.21 g/mol
LogP-0.98
Rot. Bonds

About 1-(3-acetyl-5-hydroxy-1,3-diazinan-1-yl)ethanone

1-(3-acetyl-5-hydroxy-1,3-diazinan-1-yl)ethanone (PubChem CID 10845230) has the molecular formula C8H14N2O3 and a molecular weight of 186.21 g/mol. Its IUPAC name is 1-(3-acetyl-5-hydroxy-1,3-diazinan-1-yl)ethanone.

Molecular Properties

Compound Name1-(3-acetyl-5-hydroxy-1,3-diazinan-1-yl)ethanone
PubChem CID10845230
Molecular FormulaC8H14N2O3
Molecular Weight186.21 g/mol
Exact Mass186.10
IUPAC Name1-(3-acetyl-5-hydroxy-1,3-diazinan-1-yl)ethanone
SMILESCC(=O)N1CC(O)CN(C(C)=O)C1
InChIInChI=1S/C8H14N2O3/c1-6(11)9-3-8(13)4-10(5-9)7(2)12/h8,13H,3-5H2,1-2H3
InChIKeyMMKBXSSBUWACPX-UHFFFAOYSA-N
XLogP-0.98
TPSA60.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.21
LogP ≤ 5-0.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(3-acetyl-5-hydroxy-1,3-diazinan-1-yl)ethanone?
The IUPAC name of 1-(3-acetyl-5-hydroxy-1,3-diazinan-1-yl)ethanone (CID 10845230) is 1-(3-acetyl-5-hydroxy-1,3-diazinan-1-yl)ethanone.
What is the SMILES notation for 1-(3-acetyl-5-hydroxy-1,3-diazinan-1-yl)ethanone?
The canonical SMILES for 1-(3-acetyl-5-hydroxy-1,3-diazinan-1-yl)ethanone is CC(=O)N1CC(O)CN(C(C)=O)C1.
What is the InChIKey of 1-(3-acetyl-5-hydroxy-1,3-diazinan-1-yl)ethanone?
The InChIKey is MMKBXSSBUWACPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14N2O3/c1-6(11)9-3-8(13)4-10(5-9)7(2)12/h8,13H,3-5H2,1-2H3.
What are the key properties of 1-(3-acetyl-5-hydroxy-1,3-diazinan-1-yl)ethanone?
1-(3-acetyl-5-hydroxy-1,3-diazinan-1-yl)ethanone has a molecular weight of 186.21 g/mol, XLogP of -0.98, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-acetyl-5-hydroxy-1,3-diazinan-1-yl)ethanone is sourced from PubChem (CID 10845230), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).