(6R)-6-(3-methylphenyl)-1,3-oxazinan-2-one

C11H13NO2 — CID 175383722

IUPAC(6R)-6-(3-methylphenyl)-1,3-oxazinan-2-one
SMILESCc1cccc([C@H]2CCNC(=O)O2)c1
InChIInChI=1S/C11H13NO2/c1-8-3-2-4-9(7-8)10-5-6-12-11(13)14-10/h2-4,7,10H,5-6H2,1H3,(H,12,13)/t10-/m1/s1
InChIKeyNVERTSDFRTWIRJ-SNVBAGLBSA-N
MW191.23 g/mol
LogP2.17
Rot. Bonds1

About (6R)-6-(3-methylphenyl)-1,3-oxazinan-2-one

(6R)-6-(3-methylphenyl)-1,3-oxazinan-2-one (PubChem CID 175383722) has the molecular formula C11H13NO2 and a molecular weight of 191.23 g/mol. Its IUPAC name is (6R)-6-(3-methylphenyl)-1,3-oxazinan-2-one.

Molecular Properties

Compound Name(6R)-6-(3-methylphenyl)-1,3-oxazinan-2-one
PubChem CID175383722
Molecular FormulaC11H13NO2
Molecular Weight191.23 g/mol
Exact Mass191.09
IUPAC Name(6R)-6-(3-methylphenyl)-1,3-oxazinan-2-one
SMILESCc1cccc([C@H]2CCNC(=O)O2)c1
InChIInChI=1S/C11H13NO2/c1-8-3-2-4-9(7-8)10-5-6-12-11(13)14-10/h2-4,7,10H,5-6H2,1H3,(H,12,13)/t10-/m1/s1
InChIKeyNVERTSDFRTWIRJ-SNVBAGLBSA-N
XLogP2.17
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.23
LogP ≤ 52.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

6-(3-methylphenyl)-1,3-oxazinan-2-one
CID 105444857
(5S)-5-(3-methylphenyl)-1,3-oxazolidin-2-one
CID 69282063
6-(2-methylphenyl)-1,3-oxazinan-2-one
CID 69323043
6-[3-(cyclobutylmethoxy)-4-methoxyphenyl]-1,3-oxazinan-2-one
CID 21189812
(3S)-3-(3-methylphenyl)piperazin-2-one
CID 55252949
(2R)-2-(3-methylphenyl)morpholine
CID 42182782
5-(3-methylphenyl)-2-oxooxolane-3-carbonitrile
CID 82125983
(5R)-3-tert-butyl-5-(3-methylphenyl)-1,3-oxazolidin-2-one
CID 90178842
2-(3-methylphenyl)morpholine;hydrochloride
CID 71398912
(4R)-5,5-dimethyl-4-(3-methylphenyl)-1,3-oxazinan-2-one;hydrochloride
CID 171188502
(4S)-5,5-difluoro-4-(3-methylphenyl)-1,3-oxazinan-2-one;hydrochloride
CID 171187010
(5S)-5-[3-(trifluoromethyl)phenyl]-1,3-oxazolidin-2-one
CID 97000628

Frequently Asked Questions

What is the IUPAC name of (6R)-6-(3-methylphenyl)-1,3-oxazinan-2-one?
The IUPAC name of (6R)-6-(3-methylphenyl)-1,3-oxazinan-2-one (CID 175383722) is (6R)-6-(3-methylphenyl)-1,3-oxazinan-2-one.
What is the SMILES notation for (6R)-6-(3-methylphenyl)-1,3-oxazinan-2-one?
The canonical SMILES for (6R)-6-(3-methylphenyl)-1,3-oxazinan-2-one is Cc1cccc([C@H]2CCNC(=O)O2)c1.
What is the InChIKey of (6R)-6-(3-methylphenyl)-1,3-oxazinan-2-one?
The InChIKey is NVERTSDFRTWIRJ-SNVBAGLBSA-N. The full InChI is InChI=1S/C11H13NO2/c1-8-3-2-4-9(7-8)10-5-6-12-11(13)14-10/h2-4,7,10H,5-6H2,1H3,(H,12,13)/t10-/m1/s1.
What are the key properties of (6R)-6-(3-methylphenyl)-1,3-oxazinan-2-one?
(6R)-6-(3-methylphenyl)-1,3-oxazinan-2-one has a molecular weight of 191.23 g/mol, XLogP of 2.17, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (6R)-6-(3-methylphenyl)-1,3-oxazinan-2-one is sourced from PubChem (CID 175383722), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).