1-(1,4-dioxan-2-ylmethyl)-1,3-diazinan-2-one

C9H16N2O3 — CID 115370969

IUPAC1-(1,4-dioxan-2-ylmethyl)-1,3-diazinan-2-one
SMILESO=C1NCCCN1CC1COCCO1
InChIInChI=1S/C9H16N2O3/c12-9-10-2-1-3-11(9)6-8-7-13-4-5-14-8/h8H,1-7H2,(H,10,12)
InChIKeyWBDYUEGVOZKICQ-UHFFFAOYSA-N
MW200.24 g/mol
LogP-0.18
Rot. Bonds2

About 1-(1,4-dioxan-2-ylmethyl)-1,3-diazinan-2-one

1-(1,4-dioxan-2-ylmethyl)-1,3-diazinan-2-one (PubChem CID 115370969) has the molecular formula C9H16N2O3 and a molecular weight of 200.24 g/mol. Its IUPAC name is 1-(1,4-dioxan-2-ylmethyl)-1,3-diazinan-2-one.

Molecular Properties

Compound Name1-(1,4-dioxan-2-ylmethyl)-1,3-diazinan-2-one
PubChem CID115370969
Molecular FormulaC9H16N2O3
Molecular Weight200.24 g/mol
Exact Mass200.12
IUPAC Name1-(1,4-dioxan-2-ylmethyl)-1,3-diazinan-2-one
SMILESO=C1NCCCN1CC1COCCO1
InChIInChI=1S/C9H16N2O3/c12-9-10-2-1-3-11(9)6-8-7-13-4-5-14-8/h8H,1-7H2,(H,10,12)
InChIKeyWBDYUEGVOZKICQ-UHFFFAOYSA-N
XLogP-0.18
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.24
LogP ≤ 5-0.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(1,4-dioxan-2-ylmethyl)-1,3-diazinan-2-one?
The IUPAC name of 1-(1,4-dioxan-2-ylmethyl)-1,3-diazinan-2-one (CID 115370969) is 1-(1,4-dioxan-2-ylmethyl)-1,3-diazinan-2-one.
What is the SMILES notation for 1-(1,4-dioxan-2-ylmethyl)-1,3-diazinan-2-one?
The canonical SMILES for 1-(1,4-dioxan-2-ylmethyl)-1,3-diazinan-2-one is O=C1NCCCN1CC1COCCO1.
What is the InChIKey of 1-(1,4-dioxan-2-ylmethyl)-1,3-diazinan-2-one?
The InChIKey is WBDYUEGVOZKICQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N2O3/c12-9-10-2-1-3-11(9)6-8-7-13-4-5-14-8/h8H,1-7H2,(H,10,12).
What are the key properties of 1-(1,4-dioxan-2-ylmethyl)-1,3-diazinan-2-one?
1-(1,4-dioxan-2-ylmethyl)-1,3-diazinan-2-one has a molecular weight of 200.24 g/mol, XLogP of -0.18, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,4-dioxan-2-ylmethyl)-1,3-diazinan-2-one is sourced from PubChem (CID 115370969), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).