(6S)-6-(2,5-dichlorophenyl)-3-methyl-1,3-oxazinan-2-one

C11H11Cl2NO2 — CID 71039183

IUPAC(6S)-6-(2,5-dichlorophenyl)-3-methyl-1,3-oxazinan-2-one
SMILESCN1CC[C@@H](c2cc(Cl)ccc2Cl)OC1=O
InChIInChI=1S/C11H11Cl2NO2/c1-14-5-4-10(16-11(14)15)8-6-7(12)2-3-9(8)13/h2-3,6,10H,4-5H2,1H3/t10-/m0/s1
InChIKeyBLHXFPQXRCLXHA-JTQLQIEISA-N
MW260.12 g/mol
LogP3.51
Rot. Bonds1

About (6S)-6-(2,5-dichlorophenyl)-3-methyl-1,3-oxazinan-2-one

(6S)-6-(2,5-dichlorophenyl)-3-methyl-1,3-oxazinan-2-one (PubChem CID 71039183) has the molecular formula C11H11Cl2NO2 and a molecular weight of 260.12 g/mol. Its IUPAC name is (6S)-6-(2,5-dichlorophenyl)-3-methyl-1,3-oxazinan-2-one.

Molecular Properties

Compound Name(6S)-6-(2,5-dichlorophenyl)-3-methyl-1,3-oxazinan-2-one
PubChem CID71039183
Molecular FormulaC11H11Cl2NO2
Molecular Weight260.12 g/mol
Exact Mass259.02
IUPAC Name(6S)-6-(2,5-dichlorophenyl)-3-methyl-1,3-oxazinan-2-one
SMILESCN1CC[C@@H](c2cc(Cl)ccc2Cl)OC1=O
InChIInChI=1S/C11H11Cl2NO2/c1-14-5-4-10(16-11(14)15)8-6-7(12)2-3-9(8)13/h2-3,6,10H,4-5H2,1H3/t10-/m0/s1
InChIKeyBLHXFPQXRCLXHA-JTQLQIEISA-N
XLogP3.51
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.12
LogP ≤ 53.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

tert-butyl (3R)-3-[(R)-(3-chloro-5-fluorophenyl)-(isocyanomethoxy)methyl]piperidine-1-carboxylate
CID 58017406
tert-butyl (3R)-3-[(R)-(3-chloro-4-fluorophenyl)-(isocyanomethoxy)methyl]piperidine-1-carboxylate
CID 58017414
tert-butyl (3R)-3-[(R)-(3-chloro-2-fluorophenyl)-propoxymethyl]piperidine-1-carboxylate
CID 58246917
tert-butyl (3R)-3-[(3-chloro-2-fluorophenyl)-propoxymethyl]piperidine-1-carboxylate
CID 58247009
(3-Chloro-4-fluorophenyl)methyl piperidine-1-carboxylate
CID 66720542
[3-Chloro-4-(trifluoromethyl)phenyl]methyl piperidine-1-carboxylate
CID 66720551
(3,5-Dichloro-4-fluorophenyl)methyl piperidine-1-carboxylate
CID 66720568
Tert-butyl 4-[(2-chloro-4-fluorophenyl)methoxy]piperidine-1-carboxylate
CID 118110637
(4-Chloro-3-fluorophenyl)methyl piperidine-1-carboxylate
CID 118164763
(3-Chloro-5-fluorophenyl)methyl piperidine-1-carboxylate
CID 141407284
(4-Chloro-2-fluorophenyl)methyl piperidine-1-carboxylate
CID 154246596
(6R)-6-(3-chloro-2,6-difluorophenyl)-1,3-oxazinan-2-one
CID 164080038

Frequently Asked Questions

What is the IUPAC name of (6S)-6-(2,5-dichlorophenyl)-3-methyl-1,3-oxazinan-2-one?
The IUPAC name of (6S)-6-(2,5-dichlorophenyl)-3-methyl-1,3-oxazinan-2-one (CID 71039183) is (6S)-6-(2,5-dichlorophenyl)-3-methyl-1,3-oxazinan-2-one.
What is the SMILES notation for (6S)-6-(2,5-dichlorophenyl)-3-methyl-1,3-oxazinan-2-one?
The canonical SMILES for (6S)-6-(2,5-dichlorophenyl)-3-methyl-1,3-oxazinan-2-one is CN1CC[C@@H](c2cc(Cl)ccc2Cl)OC1=O.
What is the InChIKey of (6S)-6-(2,5-dichlorophenyl)-3-methyl-1,3-oxazinan-2-one?
The InChIKey is BLHXFPQXRCLXHA-JTQLQIEISA-N. The full InChI is InChI=1S/C11H11Cl2NO2/c1-14-5-4-10(16-11(14)15)8-6-7(12)2-3-9(8)13/h2-3,6,10H,4-5H2,1H3/t10-/m0/s1.
What are the key properties of (6S)-6-(2,5-dichlorophenyl)-3-methyl-1,3-oxazinan-2-one?
(6S)-6-(2,5-dichlorophenyl)-3-methyl-1,3-oxazinan-2-one has a molecular weight of 260.12 g/mol, XLogP of 3.51, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (6S)-6-(2,5-dichlorophenyl)-3-methyl-1,3-oxazinan-2-one is sourced from PubChem (CID 71039183), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).