2-benzyl-5-[(2S)-butan-2-yl]morpholin-3-one

C15H21NO2 — CID 67677490

IUPAC2-benzyl-5-[(2S)-butan-2-yl]morpholin-3-one
SMILESCC[C@H](C)C1COC(Cc2ccccc2)C(=O)N1
InChIInChI=1S/C15H21NO2/c1-3-11(2)13-10-18-14(15(17)16-13)9-12-7-5-4-6-8-12/h4-8,11,13-14H,3,9-10H2,1-2H3,(H,16,17)/t11-,13?,14?/m0/s1
InChIKeyIRSAETJFUQGDLM-XGNXJENSSA-N
MW247.34 g/mol
LogP2.16
Rot. Bonds4

About 2-benzyl-5-[(2S)-butan-2-yl]morpholin-3-one

2-benzyl-5-[(2S)-butan-2-yl]morpholin-3-one (PubChem CID 67677490) has the molecular formula C15H21NO2 and a molecular weight of 247.34 g/mol. Its IUPAC name is 2-benzyl-5-[(2S)-butan-2-yl]morpholin-3-one.

Molecular Properties

Compound Name2-benzyl-5-[(2S)-butan-2-yl]morpholin-3-one
PubChem CID67677490
Molecular FormulaC15H21NO2
Molecular Weight247.34 g/mol
Exact Mass247.16
IUPAC Name2-benzyl-5-[(2S)-butan-2-yl]morpholin-3-one
SMILESCC[C@H](C)C1COC(Cc2ccccc2)C(=O)N1
InChIInChI=1S/C15H21NO2/c1-3-11(2)13-10-18-14(15(17)16-13)9-12-7-5-4-6-8-12/h4-8,11,13-14H,3,9-10H2,1-2H3,(H,16,17)/t11-,13?,14?/m0/s1
InChIKeyIRSAETJFUQGDLM-XGNXJENSSA-N
XLogP2.16
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.34
LogP ≤ 52.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-benzyl-6-butan-2-ylpiperazine-2,5-dione
CID 14278866
tert-butyl 2-benzyl-5-butan-2-yl-3-oxomorpholine-4-carboxylate
CID 67716572
3-benzyl-6-butan-2-yl-9,12,15-tris(2-methylpropyl)-1,4,7,10,13-pentazacyclopentadecane-2,5,8,11,14-pentone
CID 72749504
(3S,6S)-3-[(2S)-butan-2-yl]-6-phenylpiperazine-2,5-dione
CID 131938649
(4R,7S,10S)-4-benzyl-10-[(2S)-butan-2-yl]-16-chloro-7-propan-2-yl-2-oxa-5,8,11-triazabicyclo[11.4.0]heptadeca-1(13),14,16-triene-6,9,12-trione
CID 110062566
3-benzyl-4-butan-2-ylpiperidine
CID 79320392
(2S)-2-[(2R)-1-phenylpropan-2-yl]oxirane
CID 10487206
(3S,6S,9S,12S)-3-benzyl-12-[(2S)-butan-2-yl]-6-[(2S,3R)-3-hydroxybutan-2-yl]-9-propan-2-yl-1,4,7,10-tetrazacyclododecane-2,5,8,11-tetrone
CID 44571997
3-benzyl-6-methyl-1,4-dioxane-2,5-dione
CID 23504963
4-benzyl-3-ethylazetidin-2-one
CID 85185683
(4S)-3-benzyl-4-propan-2-yloxolan-2-one
CID 58743247
(6S)-6-benzyl-3,3-dimethylmorpholine-2,5-dione
CID 139058219

Frequently Asked Questions

What is the IUPAC name of 2-benzyl-5-[(2S)-butan-2-yl]morpholin-3-one?
The IUPAC name of 2-benzyl-5-[(2S)-butan-2-yl]morpholin-3-one (CID 67677490) is 2-benzyl-5-[(2S)-butan-2-yl]morpholin-3-one.
What is the SMILES notation for 2-benzyl-5-[(2S)-butan-2-yl]morpholin-3-one?
The canonical SMILES for 2-benzyl-5-[(2S)-butan-2-yl]morpholin-3-one is CC[C@H](C)C1COC(Cc2ccccc2)C(=O)N1.
What is the InChIKey of 2-benzyl-5-[(2S)-butan-2-yl]morpholin-3-one?
The InChIKey is IRSAETJFUQGDLM-XGNXJENSSA-N. The full InChI is InChI=1S/C15H21NO2/c1-3-11(2)13-10-18-14(15(17)16-13)9-12-7-5-4-6-8-12/h4-8,11,13-14H,3,9-10H2,1-2H3,(H,16,17)/t11-,13?,14?/m0/s1.
What are the key properties of 2-benzyl-5-[(2S)-butan-2-yl]morpholin-3-one?
2-benzyl-5-[(2S)-butan-2-yl]morpholin-3-one has a molecular weight of 247.34 g/mol, XLogP of 2.16, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-benzyl-5-[(2S)-butan-2-yl]morpholin-3-one is sourced from PubChem (CID 67677490), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).