1-[2-(hydroxymethyl)phenyl]-1,3-diazinan-2-one

C11H14N2O2 — CID 104549285

IUPAC1-[2-(hydroxymethyl)phenyl]-1,3-diazinan-2-one
SMILESO=C1NCCCN1c1ccccc1CO
InChIInChI=1S/C11H14N2O2/c14-8-9-4-1-2-5-10(9)13-7-3-6-12-11(13)15/h1-2,4-5,14H,3,6-8H2,(H,12,15)
InChIKeySCZXUAFRBDQCSQ-UHFFFAOYSA-N
MW206.25 g/mol
LogP1.10
Rot. Bonds2

About 1-[2-(hydroxymethyl)phenyl]-1,3-diazinan-2-one

1-[2-(hydroxymethyl)phenyl]-1,3-diazinan-2-one (PubChem CID 104549285) has the molecular formula C11H14N2O2 and a molecular weight of 206.25 g/mol. Its IUPAC name is 1-[2-(hydroxymethyl)phenyl]-1,3-diazinan-2-one.

Molecular Properties

Compound Name1-[2-(hydroxymethyl)phenyl]-1,3-diazinan-2-one
PubChem CID104549285
Molecular FormulaC11H14N2O2
Molecular Weight206.25 g/mol
Exact Mass206.11
IUPAC Name1-[2-(hydroxymethyl)phenyl]-1,3-diazinan-2-one
SMILESO=C1NCCCN1c1ccccc1CO
InChIInChI=1S/C11H14N2O2/c14-8-9-4-1-2-5-10(9)13-7-3-6-12-11(13)15/h1-2,4-5,14H,3,6-8H2,(H,12,15)
InChIKeySCZXUAFRBDQCSQ-UHFFFAOYSA-N
XLogP1.10
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.25
LogP ≤ 51.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-[2-(hydroxymethyl)phenyl]-1,3-diazinan-2-one?
The IUPAC name of 1-[2-(hydroxymethyl)phenyl]-1,3-diazinan-2-one (CID 104549285) is 1-[2-(hydroxymethyl)phenyl]-1,3-diazinan-2-one.
What is the SMILES notation for 1-[2-(hydroxymethyl)phenyl]-1,3-diazinan-2-one?
The canonical SMILES for 1-[2-(hydroxymethyl)phenyl]-1,3-diazinan-2-one is O=C1NCCCN1c1ccccc1CO.
What is the InChIKey of 1-[2-(hydroxymethyl)phenyl]-1,3-diazinan-2-one?
The InChIKey is SCZXUAFRBDQCSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N2O2/c14-8-9-4-1-2-5-10(9)13-7-3-6-12-11(13)15/h1-2,4-5,14H,3,6-8H2,(H,12,15).
What are the key properties of 1-[2-(hydroxymethyl)phenyl]-1,3-diazinan-2-one?
1-[2-(hydroxymethyl)phenyl]-1,3-diazinan-2-one has a molecular weight of 206.25 g/mol, XLogP of 1.10, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(hydroxymethyl)phenyl]-1,3-diazinan-2-one is sourced from PubChem (CID 104549285), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).