2-(phenoxymethyl)-1,3-diazinan-4-one

C11H14N2O2 — CID 76955615

IUPAC2-(phenoxymethyl)-1,3-diazinan-4-one
SMILESO=C1CCNC(COc2ccccc2)N1
InChIInChI=1S/C11H14N2O2/c14-11-6-7-12-10(13-11)8-15-9-4-2-1-3-5-9/h1-5,10,12H,6-8H2,(H,13,14)
InChIKeyAKTWATGYTMUUEQ-UHFFFAOYSA-N
MW206.25 g/mol
LogP0.50
Rot. Bonds3

About 2-(phenoxymethyl)-1,3-diazinan-4-one

2-(phenoxymethyl)-1,3-diazinan-4-one (PubChem CID 76955615) has the molecular formula C11H14N2O2 and a molecular weight of 206.25 g/mol. Its IUPAC name is 2-(phenoxymethyl)-1,3-diazinan-4-one.

Molecular Properties

Compound Name2-(phenoxymethyl)-1,3-diazinan-4-one
PubChem CID76955615
Molecular FormulaC11H14N2O2
Molecular Weight206.25 g/mol
Exact Mass206.11
IUPAC Name2-(phenoxymethyl)-1,3-diazinan-4-one
SMILESO=C1CCNC(COc2ccccc2)N1
InChIInChI=1S/C11H14N2O2/c14-11-6-7-12-10(13-11)8-15-9-4-2-1-3-5-9/h1-5,10,12H,6-8H2,(H,13,14)
InChIKeyAKTWATGYTMUUEQ-UHFFFAOYSA-N
XLogP0.50
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.25
LogP ≤ 50.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

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CID 122197934
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Frequently Asked Questions

What is the IUPAC name of 2-(phenoxymethyl)-1,3-diazinan-4-one?
The IUPAC name of 2-(phenoxymethyl)-1,3-diazinan-4-one (CID 76955615) is 2-(phenoxymethyl)-1,3-diazinan-4-one.
What is the SMILES notation for 2-(phenoxymethyl)-1,3-diazinan-4-one?
The canonical SMILES for 2-(phenoxymethyl)-1,3-diazinan-4-one is O=C1CCNC(COc2ccccc2)N1.
What is the InChIKey of 2-(phenoxymethyl)-1,3-diazinan-4-one?
The InChIKey is AKTWATGYTMUUEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N2O2/c14-11-6-7-12-10(13-11)8-15-9-4-2-1-3-5-9/h1-5,10,12H,6-8H2,(H,13,14).
What are the key properties of 2-(phenoxymethyl)-1,3-diazinan-4-one?
2-(phenoxymethyl)-1,3-diazinan-4-one has a molecular weight of 206.25 g/mol, XLogP of 0.50, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(phenoxymethyl)-1,3-diazinan-4-one is sourced from PubChem (CID 76955615), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).