(5S)-5-(4-bromophenyl)morpholin-3-one

C10H10BrNO2 — CID 124583230

IUPAC(5S)-5-(4-bromophenyl)morpholin-3-one
SMILESO=C1COC[C@H](c2ccc(Br)cc2)N1
InChIInChI=1S/C10H10BrNO2/c11-8-3-1-7(2-4-8)9-5-14-6-10(13)12-9/h1-4,9H,5-6H2,(H,12,13)/t9-/m1/s1
InChIKeyZTGHSKULYDVJHY-SECBINFHSA-N
MW256.10 g/mol
LogP1.64
Rot. Bonds1

About (5S)-5-(4-bromophenyl)morpholin-3-one

(5S)-5-(4-bromophenyl)morpholin-3-one (PubChem CID 124583230) has the molecular formula C10H10BrNO2 and a molecular weight of 256.10 g/mol. Its IUPAC name is (5S)-5-(4-bromophenyl)morpholin-3-one.

Molecular Properties

Compound Name(5S)-5-(4-bromophenyl)morpholin-3-one
PubChem CID124583230
Molecular FormulaC10H10BrNO2
Molecular Weight256.10 g/mol
Exact Mass254.99
IUPAC Name(5S)-5-(4-bromophenyl)morpholin-3-one
SMILESO=C1COC[C@H](c2ccc(Br)cc2)N1
InChIInChI=1S/C10H10BrNO2/c11-8-3-1-7(2-4-8)9-5-14-6-10(13)12-9/h1-4,9H,5-6H2,(H,12,13)/t9-/m1/s1
InChIKeyZTGHSKULYDVJHY-SECBINFHSA-N
XLogP1.64
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.10
LogP ≤ 51.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

5-pyridin-4-ylmorpholin-3-one
CID 130045399
(5S)-5-(2-bromo-4-pyridinyl)morpholin-3-one
CID 130699843
3-(5-oxomorpholin-3-yl)benzaldehyde
CID 115023846
4,6-bis(4-bromophenyl)piperidin-2-one
CID 71303235
(5S)-5-pyridin-2-ylmorpholin-3-one
CID 131099738
5-thiophen-2-ylmorpholin-3-one
CID 126971724
(5R)-5-(6-oxo-1H-pyridin-2-yl)morpholin-3-one
CID 130715121
(5S)-5-(2-oxo-1H-pyridin-3-yl)morpholin-3-one
CID 130634453
4-(5-oxomorpholin-3-yl)thiophene-2-carbonitrile
CID 130045446
(2S)-2-(4-bromophenyl)azetidine
CID 91980119
2-(5-oxomorpholin-3-yl)benzaldehyde
CID 115023845
5-(4-bromophenyl)-3,3-dimethylmorpholine
CID 82305856

Frequently Asked Questions

What is the IUPAC name of (5S)-5-(4-bromophenyl)morpholin-3-one?
The IUPAC name of (5S)-5-(4-bromophenyl)morpholin-3-one (CID 124583230) is (5S)-5-(4-bromophenyl)morpholin-3-one.
What is the SMILES notation for (5S)-5-(4-bromophenyl)morpholin-3-one?
The canonical SMILES for (5S)-5-(4-bromophenyl)morpholin-3-one is O=C1COC[C@H](c2ccc(Br)cc2)N1.
What is the InChIKey of (5S)-5-(4-bromophenyl)morpholin-3-one?
The InChIKey is ZTGHSKULYDVJHY-SECBINFHSA-N. The full InChI is InChI=1S/C10H10BrNO2/c11-8-3-1-7(2-4-8)9-5-14-6-10(13)12-9/h1-4,9H,5-6H2,(H,12,13)/t9-/m1/s1.
What are the key properties of (5S)-5-(4-bromophenyl)morpholin-3-one?
(5S)-5-(4-bromophenyl)morpholin-3-one has a molecular weight of 256.10 g/mol, XLogP of 1.64, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (5S)-5-(4-bromophenyl)morpholin-3-one is sourced from PubChem (CID 124583230), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).