4-hydroxy-6-[2-(2-methylphenyl)ethyl]diazinan-3-one

C13H18N2O2 — CID 122197923

IUPAC4-hydroxy-6-[2-(2-methylphenyl)ethyl]diazinan-3-one
SMILESCc1ccccc1CCC1CC(O)C(=O)NN1
InChIInChI=1S/C13H18N2O2/c1-9-4-2-3-5-10(9)6-7-11-8-12(16)13(17)15-14-11/h2-5,11-12,14,16H,6-8H2,1H3,(H,15,17)
InChIKeyFNHHJXHJGRKIJN-UHFFFAOYSA-N
MW234.30 g/mol
LogP0.68
Rot. Bonds3

About 4-hydroxy-6-[2-(2-methylphenyl)ethyl]diazinan-3-one

4-hydroxy-6-[2-(2-methylphenyl)ethyl]diazinan-3-one (PubChem CID 122197923) has the molecular formula C13H18N2O2 and a molecular weight of 234.30 g/mol. Its IUPAC name is 4-hydroxy-6-[2-(2-methylphenyl)ethyl]diazinan-3-one.

Molecular Properties

Compound Name4-hydroxy-6-[2-(2-methylphenyl)ethyl]diazinan-3-one
PubChem CID122197923
Molecular FormulaC13H18N2O2
Molecular Weight234.30 g/mol
Exact Mass234.14
IUPAC Name4-hydroxy-6-[2-(2-methylphenyl)ethyl]diazinan-3-one
SMILESCc1ccccc1CCC1CC(O)C(=O)NN1
InChIInChI=1S/C13H18N2O2/c1-9-4-2-3-5-10(9)6-7-11-8-12(16)13(17)15-14-11/h2-5,11-12,14,16H,6-8H2,1H3,(H,15,17)
InChIKeyFNHHJXHJGRKIJN-UHFFFAOYSA-N
XLogP0.68
TPSA61.36 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.30
LogP ≤ 50.68
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-hydroxy-6-[2-(2-methylphenyl)ethyl]diazinan-3-one?
The IUPAC name of 4-hydroxy-6-[2-(2-methylphenyl)ethyl]diazinan-3-one (CID 122197923) is 4-hydroxy-6-[2-(2-methylphenyl)ethyl]diazinan-3-one.
What is the SMILES notation for 4-hydroxy-6-[2-(2-methylphenyl)ethyl]diazinan-3-one?
The canonical SMILES for 4-hydroxy-6-[2-(2-methylphenyl)ethyl]diazinan-3-one is Cc1ccccc1CCC1CC(O)C(=O)NN1.
What is the InChIKey of 4-hydroxy-6-[2-(2-methylphenyl)ethyl]diazinan-3-one?
The InChIKey is FNHHJXHJGRKIJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O2/c1-9-4-2-3-5-10(9)6-7-11-8-12(16)13(17)15-14-11/h2-5,11-12,14,16H,6-8H2,1H3,(H,15,17).
What are the key properties of 4-hydroxy-6-[2-(2-methylphenyl)ethyl]diazinan-3-one?
4-hydroxy-6-[2-(2-methylphenyl)ethyl]diazinan-3-one has a molecular weight of 234.30 g/mol, XLogP of 0.68, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxy-6-[2-(2-methylphenyl)ethyl]diazinan-3-one is sourced from PubChem (CID 122197923), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).