1,3-oxazinan-2-yl(phenyl)methanone

C11H13NO2 — CID 121217862

IUPAC1,3-oxazinan-2-yl(phenyl)methanone
SMILESO=C(c1ccccc1)C1NCCCO1
InChIInChI=1S/C11H13NO2/c13-10(9-5-2-1-3-6-9)11-12-7-4-8-14-11/h1-3,5-6,11-12H,4,7-8H2
InChIKeyTYCZTGIOOCFCHA-UHFFFAOYSA-N
MW191.23 g/mol
LogP1.21
Rot. Bonds2

About 1,3-oxazinan-2-yl(phenyl)methanone

1,3-oxazinan-2-yl(phenyl)methanone (PubChem CID 121217862) has the molecular formula C11H13NO2 and a molecular weight of 191.23 g/mol. Its IUPAC name is 1,3-oxazinan-2-yl(phenyl)methanone.

Molecular Properties

Compound Name1,3-oxazinan-2-yl(phenyl)methanone
PubChem CID121217862
Molecular FormulaC11H13NO2
Molecular Weight191.23 g/mol
Exact Mass191.09
IUPAC Name1,3-oxazinan-2-yl(phenyl)methanone
SMILESO=C(c1ccccc1)C1NCCCO1
InChIInChI=1S/C11H13NO2/c13-10(9-5-2-1-3-6-9)11-12-7-4-8-14-11/h1-3,5-6,11-12H,4,7-8H2
InChIKeyTYCZTGIOOCFCHA-UHFFFAOYSA-N
XLogP1.21
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.23
LogP ≤ 51.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1,3-oxazolidin-2-yl(phenyl)methanone
CID 154118649
(2S)-1,3-oxazinane-2-carboxylic acid
CID 142515360
phenyl(piperidin-2-yl)methanone
CID 19772085
azetidin-2-yl(phenyl)methanone
CID 84651225
oxiran-2-yl(phenyl)methanone
CID 11788375
[(2R,3S)-3-deuteriooxiran-2-yl]-phenylmethanone
CID 101354786
oxan-3-yl(phenyl)methanone
CID 63011351
phenyl-[(2S)-pyrrolidin-2-yl]methanone;2,2,2-trifluoroacetic acid
CID 21080202
isoquinolin-1-yl(1,3-oxazolidin-2-yl)methanone
CID 175012058
phenyl-(2-phenyloxolan-3-yl)methanone
CID 73097073
phenyl(1,3-thiazolidin-2-yl)methanone;hydrochloride
CID 138398651
(2R)-1,3-oxazolidine-2-carboxylic acid
CID 69270912

Frequently Asked Questions

What is the IUPAC name of 1,3-oxazinan-2-yl(phenyl)methanone?
The IUPAC name of 1,3-oxazinan-2-yl(phenyl)methanone (CID 121217862) is 1,3-oxazinan-2-yl(phenyl)methanone.
What is the SMILES notation for 1,3-oxazinan-2-yl(phenyl)methanone?
The canonical SMILES for 1,3-oxazinan-2-yl(phenyl)methanone is O=C(c1ccccc1)C1NCCCO1.
What is the InChIKey of 1,3-oxazinan-2-yl(phenyl)methanone?
The InChIKey is TYCZTGIOOCFCHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13NO2/c13-10(9-5-2-1-3-6-9)11-12-7-4-8-14-11/h1-3,5-6,11-12H,4,7-8H2.
What are the key properties of 1,3-oxazinan-2-yl(phenyl)methanone?
1,3-oxazinan-2-yl(phenyl)methanone has a molecular weight of 191.23 g/mol, XLogP of 1.21, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-oxazinan-2-yl(phenyl)methanone is sourced from PubChem (CID 121217862), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).