(2R)-2-benzyl-4-methylmorpholin-3-one;bromobenzene

C24H25Br2NO2 — CID 144688089

IUPAC(2R)-2-benzyl-4-methylmorpholin-3-one;bromobenzene
SMILESBrc1ccccc1.Brc1ccccc1.CN1CCO[C@H](Cc2ccccc2)C1=O
InChIInChI=1S/C12H15NO2.2C6H5Br/c1-13-7-8-15-11(12(13)14)9-10-5-3-2-4-6-10;2*7-6-4-2-1-3-5-6/h2-6,11H,7-9H2,1H3;2*1-5H/t11-;;/m1../s1
InChIKeyVDXNGPAFERXPBS-NVJADKKVSA-N
MW519.28 g/mol
LogP5.98
Rot. Bonds2

About (2R)-2-benzyl-4-methylmorpholin-3-one;bromobenzene

(2R)-2-benzyl-4-methylmorpholin-3-one;bromobenzene (PubChem CID 144688089) has the molecular formula C24H25Br2NO2 and a molecular weight of 519.28 g/mol. Its IUPAC name is (2R)-2-benzyl-4-methylmorpholin-3-one;bromobenzene.

Molecular Properties

Compound Name(2R)-2-benzyl-4-methylmorpholin-3-one;bromobenzene
PubChem CID144688089
Molecular FormulaC24H25Br2NO2
Molecular Weight519.28 g/mol
Exact Mass517.03
IUPAC Name(2R)-2-benzyl-4-methylmorpholin-3-one;bromobenzene
SMILESBrc1ccccc1.Brc1ccccc1.CN1CCO[C@H](Cc2ccccc2)C1=O
InChIInChI=1S/C12H15NO2.2C6H5Br/c1-13-7-8-15-11(12(13)14)9-10-5-3-2-4-6-10;2*7-6-4-2-1-3-5-6/h2-6,11H,7-9H2,1H3;2*1-5H/t11-;;/m1../s1
InChIKeyVDXNGPAFERXPBS-NVJADKKVSA-N
XLogP5.98
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms29
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500519.28
LogP ≤ 55.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

4-benzyl-2-[(4-methylphenyl)methyl]morpholin-3-one
CID 142864915
2-benzyl-5,6-bis(4-bromophenyl)-4-methylmorpholin-3-one
CID 78143475
(5S)-5-benzyl-1,4-dimethylpiperazine-2,3-dione
CID 139093059
2-[(2S)-4-(benzylamino)-3-oxomorpholin-2-yl]acetic acid
CID 10901474
(2S)-2-benzyl-3-methyl-1,3-oxazinane
CID 89089139
4-benzyl-2-[(3-bromophenyl)methyl]morpholine-3-carbaldehyde
CID 174533787
4-(4-bromophenyl)-2-(hydroxymethyl)morpholin-3-one
CID 117008639
1-methyl-3-(2-phenylethyl)pyrrolidin-2-one
CID 24974613
4-benzylsulfonyl-2-(4-bromophenyl)morpholine
CID 47958795
4-benzyl-2-(1H-indol-3-ylmethyl)morpholin-3-one
CID 10245452
chlorobenzene;2-[2-[(4-fluorophenyl)methyl]-3-oxomorpholin-4-yl]pentanal
CID 144688289
2-benzylmorpholine-4-carbaldehyde;1,2-dimethylazetidine;ethane
CID 168940416

Frequently Asked Questions

What is the IUPAC name of (2R)-2-benzyl-4-methylmorpholin-3-one;bromobenzene?
The IUPAC name of (2R)-2-benzyl-4-methylmorpholin-3-one;bromobenzene (CID 144688089) is (2R)-2-benzyl-4-methylmorpholin-3-one;bromobenzene.
What is the SMILES notation for (2R)-2-benzyl-4-methylmorpholin-3-one;bromobenzene?
The canonical SMILES for (2R)-2-benzyl-4-methylmorpholin-3-one;bromobenzene is Brc1ccccc1.Brc1ccccc1.CN1CCO[C@H](Cc2ccccc2)C1=O.
What is the InChIKey of (2R)-2-benzyl-4-methylmorpholin-3-one;bromobenzene?
The InChIKey is VDXNGPAFERXPBS-NVJADKKVSA-N. The full InChI is InChI=1S/C12H15NO2.2C6H5Br/c1-13-7-8-15-11(12(13)14)9-10-5-3-2-4-6-10;2*7-6-4-2-1-3-5-6/h2-6,11H,7-9H2,1H3;2*1-5H/t11-;;/m1../s1.
What are the key properties of (2R)-2-benzyl-4-methylmorpholin-3-one;bromobenzene?
(2R)-2-benzyl-4-methylmorpholin-3-one;bromobenzene has a molecular weight of 519.28 g/mol, XLogP of 5.98, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-benzyl-4-methylmorpholin-3-one;bromobenzene is sourced from PubChem (CID 144688089), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).