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

C13H18N2O3 — CID 122197918

IUPAC4-hydroxy-6-[2-[4-(hydroxymethyl)phenyl]ethyl]diazinan-3-one
SMILESO=C1NNC(CCc2ccc(CO)cc2)CC1O
InChIInChI=1S/C13H18N2O3/c16-8-10-3-1-9(2-4-10)5-6-11-7-12(17)13(18)15-14-11/h1-4,11-12,14,16-17H,5-8H2,(H,15,18)
InChIKeyOMGIWQKXFZSVMG-UHFFFAOYSA-N
MW250.30 g/mol
LogP-0.13
Rot. Bonds4

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

4-hydroxy-6-[2-[4-(hydroxymethyl)phenyl]ethyl]diazinan-3-one (PubChem CID 122197918) has the molecular formula C13H18N2O3 and a molecular weight of 250.30 g/mol. Its IUPAC name is 4-hydroxy-6-[2-[4-(hydroxymethyl)phenyl]ethyl]diazinan-3-one.

Molecular Properties

Compound Name4-hydroxy-6-[2-[4-(hydroxymethyl)phenyl]ethyl]diazinan-3-one
PubChem CID122197918
Molecular FormulaC13H18N2O3
Molecular Weight250.30 g/mol
Exact Mass250.13
IUPAC Name4-hydroxy-6-[2-[4-(hydroxymethyl)phenyl]ethyl]diazinan-3-one
SMILESO=C1NNC(CCc2ccc(CO)cc2)CC1O
InChIInChI=1S/C13H18N2O3/c16-8-10-3-1-9(2-4-10)5-6-11-7-12(17)13(18)15-14-11/h1-4,11-12,14,16-17H,5-8H2,(H,15,18)
InChIKeyOMGIWQKXFZSVMG-UHFFFAOYSA-N
XLogP-0.13
TPSA81.59 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.30
LogP ≤ 5-0.13
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-hydroxy-6-[2-[4-(hydroxymethyl)phenyl]ethyl]diazinan-3-one?
The IUPAC name of 4-hydroxy-6-[2-[4-(hydroxymethyl)phenyl]ethyl]diazinan-3-one (CID 122197918) is 4-hydroxy-6-[2-[4-(hydroxymethyl)phenyl]ethyl]diazinan-3-one.
What is the SMILES notation for 4-hydroxy-6-[2-[4-(hydroxymethyl)phenyl]ethyl]diazinan-3-one?
The canonical SMILES for 4-hydroxy-6-[2-[4-(hydroxymethyl)phenyl]ethyl]diazinan-3-one is O=C1NNC(CCc2ccc(CO)cc2)CC1O.
What is the InChIKey of 4-hydroxy-6-[2-[4-(hydroxymethyl)phenyl]ethyl]diazinan-3-one?
The InChIKey is OMGIWQKXFZSVMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O3/c16-8-10-3-1-9(2-4-10)5-6-11-7-12(17)13(18)15-14-11/h1-4,11-12,14,16-17H,5-8H2,(H,15,18).
What are the key properties of 4-hydroxy-6-[2-[4-(hydroxymethyl)phenyl]ethyl]diazinan-3-one?
4-hydroxy-6-[2-[4-(hydroxymethyl)phenyl]ethyl]diazinan-3-one has a molecular weight of 250.30 g/mol, XLogP of -0.13, 4 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxy-6-[2-[4-(hydroxymethyl)phenyl]ethyl]diazinan-3-one is sourced from PubChem (CID 122197918), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).