3-hydroxy-6-(phenoxymethyl)diazinan-4-one

C11H14N2O3 — CID 122197934

IUPAC3-hydroxy-6-(phenoxymethyl)diazinan-4-one
SMILESO=C1CC(COc2ccccc2)NNC1O
InChIInChI=1S/C11H14N2O3/c14-10-6-8(12-13-11(10)15)7-16-9-4-2-1-3-5-9/h1-5,8,11-13,15H,6-7H2
InChIKeyCQILZQHETYEPPI-UHFFFAOYSA-N
MW222.24 g/mol
LogP-0.18
Rot. Bonds3

About 3-hydroxy-6-(phenoxymethyl)diazinan-4-one

3-hydroxy-6-(phenoxymethyl)diazinan-4-one (PubChem CID 122197934) has the molecular formula C11H14N2O3 and a molecular weight of 222.24 g/mol. Its IUPAC name is 3-hydroxy-6-(phenoxymethyl)diazinan-4-one.

Molecular Properties

Compound Name3-hydroxy-6-(phenoxymethyl)diazinan-4-one
PubChem CID122197934
Molecular FormulaC11H14N2O3
Molecular Weight222.24 g/mol
Exact Mass222.10
IUPAC Name3-hydroxy-6-(phenoxymethyl)diazinan-4-one
SMILESO=C1CC(COc2ccccc2)NNC1O
InChIInChI=1S/C11H14N2O3/c14-10-6-8(12-13-11(10)15)7-16-9-4-2-1-3-5-9/h1-5,8,11-13,15H,6-7H2
InChIKeyCQILZQHETYEPPI-UHFFFAOYSA-N
XLogP-0.18
TPSA70.59 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.24
LogP ≤ 5-0.18
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

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tert-butyl (2R,4S)-4-hydroxy-2-(phenoxymethyl)pyrrolidine-1-carboxylate
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4-(phenoxymethyl)-2-phenylcyclopent-2-en-1-one
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Frequently Asked Questions

What is the IUPAC name of 3-hydroxy-6-(phenoxymethyl)diazinan-4-one?
The IUPAC name of 3-hydroxy-6-(phenoxymethyl)diazinan-4-one (CID 122197934) is 3-hydroxy-6-(phenoxymethyl)diazinan-4-one.
What is the SMILES notation for 3-hydroxy-6-(phenoxymethyl)diazinan-4-one?
The canonical SMILES for 3-hydroxy-6-(phenoxymethyl)diazinan-4-one is O=C1CC(COc2ccccc2)NNC1O.
What is the InChIKey of 3-hydroxy-6-(phenoxymethyl)diazinan-4-one?
The InChIKey is CQILZQHETYEPPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N2O3/c14-10-6-8(12-13-11(10)15)7-16-9-4-2-1-3-5-9/h1-5,8,11-13,15H,6-7H2.
What are the key properties of 3-hydroxy-6-(phenoxymethyl)diazinan-4-one?
3-hydroxy-6-(phenoxymethyl)diazinan-4-one has a molecular weight of 222.24 g/mol, XLogP of -0.18, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-hydroxy-6-(phenoxymethyl)diazinan-4-one is sourced from PubChem (CID 122197934), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).