(4R)-4-(3,5-dihydroxyphenyl)-1,3-oxazinan-2-one

C10H11NO4 — CID 131484934

IUPAC(4R)-4-(3,5-dihydroxyphenyl)-1,3-oxazinan-2-one
SMILESO=C1N[C@@H](c2cc(O)cc(O)c2)CCO1
InChIInChI=1S/C10H11NO4/c12-7-3-6(4-8(13)5-7)9-1-2-15-10(14)11-9/h3-5,9,12-13H,1-2H2,(H,11,14)/t9-/m1/s1
InChIKeyGWLSOAMWGKPGKM-SECBINFHSA-N
MW209.20 g/mol
LogP1.27
Rot. Bonds1

About (4R)-4-(3,5-dihydroxyphenyl)-1,3-oxazinan-2-one

(4R)-4-(3,5-dihydroxyphenyl)-1,3-oxazinan-2-one (PubChem CID 131484934) has the molecular formula C10H11NO4 and a molecular weight of 209.20 g/mol. Its IUPAC name is (4R)-4-(3,5-dihydroxyphenyl)-1,3-oxazinan-2-one.

Molecular Properties

Compound Name(4R)-4-(3,5-dihydroxyphenyl)-1,3-oxazinan-2-one
PubChem CID131484934
Molecular FormulaC10H11NO4
Molecular Weight209.20 g/mol
Exact Mass209.07
IUPAC Name(4R)-4-(3,5-dihydroxyphenyl)-1,3-oxazinan-2-one
SMILESO=C1N[C@@H](c2cc(O)cc(O)c2)CCO1
InChIInChI=1S/C10H11NO4/c12-7-3-6(4-8(13)5-7)9-1-2-15-10(14)11-9/h3-5,9,12-13H,1-2H2,(H,11,14)/t9-/m1/s1
InChIKeyGWLSOAMWGKPGKM-SECBINFHSA-N
XLogP1.27
TPSA78.79 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.20
LogP ≤ 51.27
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze (4R)-4-(3,5-dihydroxyphenyl)-1,3-oxazinan-2-one with MolForge

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Related Compounds

(4S)-4-(3-hydroxyphenyl)-1,3-oxazinan-2-one;hydrochloride
CID 171185449
(4R)-4-(3,5-difluorophenyl)-1,3-oxazinan-2-one;hydrochloride
CID 171184997
(4S)-4-(3-fluoro-4-hydroxyphenyl)-1,3-oxazinan-2-one
CID 131593675
(4R)-4-(4-hydroxy-3-methoxyphenyl)-1,3-oxazinan-2-one;hydrochloride
CID 171184949
(4S)-4-(2,5-dihydroxyphenyl)-1,3-oxazinan-2-one
CID 131484936
(4R)-4-(3-chloro-4-hydroxy-5-methoxyphenyl)-1,3-oxazinan-2-one
CID 171185353
(4R)-4-(2-fluoro-4-hydroxyphenyl)-1,3-oxazinan-2-one
CID 131255263
(4R)-4-(3,4-dichlorophenyl)-1,3-oxazinan-2-one
CID 171184906
(4S)-4-naphthalen-2-yl-1,3-oxazinan-2-one;hydrochloride
CID 171185570
(4R)-4-(3-fluorophenyl)-1,3-oxazinan-2-one
CID 130642910
(4S)-4-(2-hydroxyphenyl)-1,3-oxazinan-2-one;hydrochloride
CID 171185519
(4R)-4-[3-bromo-5-(trifluoromethyl)phenyl]-1,3-oxazinan-2-one;hydrochloride
CID 171185109

Frequently Asked Questions

What is the IUPAC name of (4R)-4-(3,5-dihydroxyphenyl)-1,3-oxazinan-2-one?
The IUPAC name of (4R)-4-(3,5-dihydroxyphenyl)-1,3-oxazinan-2-one (CID 131484934) is (4R)-4-(3,5-dihydroxyphenyl)-1,3-oxazinan-2-one.
What is the SMILES notation for (4R)-4-(3,5-dihydroxyphenyl)-1,3-oxazinan-2-one?
The canonical SMILES for (4R)-4-(3,5-dihydroxyphenyl)-1,3-oxazinan-2-one is O=C1N[C@@H](c2cc(O)cc(O)c2)CCO1.
What is the InChIKey of (4R)-4-(3,5-dihydroxyphenyl)-1,3-oxazinan-2-one?
The InChIKey is GWLSOAMWGKPGKM-SECBINFHSA-N. The full InChI is InChI=1S/C10H11NO4/c12-7-3-6(4-8(13)5-7)9-1-2-15-10(14)11-9/h3-5,9,12-13H,1-2H2,(H,11,14)/t9-/m1/s1.
What are the key properties of (4R)-4-(3,5-dihydroxyphenyl)-1,3-oxazinan-2-one?
(4R)-4-(3,5-dihydroxyphenyl)-1,3-oxazinan-2-one has a molecular weight of 209.20 g/mol, XLogP of 1.27, 1 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-4-(3,5-dihydroxyphenyl)-1,3-oxazinan-2-one is sourced from PubChem (CID 131484934), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).