(6S)-6-(3-bromophenyl)morpholin-2-one

C10H10BrNO2 — CID 129373505

IUPAC(6S)-6-(3-bromophenyl)morpholin-2-one
SMILESO=C1CNC[C@H](c2cccc(Br)c2)O1
InChIInChI=1S/C10H10BrNO2/c11-8-3-1-2-7(4-8)9-5-12-6-10(13)14-9/h1-4,9,12H,5-6H2/t9-/m1/s1
InChIKeyACXUAMWCPKMVGZ-SECBINFHSA-N
MW256.10 g/mol
LogP1.64
Rot. Bonds1

About (6S)-6-(3-bromophenyl)morpholin-2-one

(6S)-6-(3-bromophenyl)morpholin-2-one (PubChem CID 129373505) has the molecular formula C10H10BrNO2 and a molecular weight of 256.10 g/mol. Its IUPAC name is (6S)-6-(3-bromophenyl)morpholin-2-one.

Molecular Properties

Compound Name(6S)-6-(3-bromophenyl)morpholin-2-one
PubChem CID129373505
Molecular FormulaC10H10BrNO2
Molecular Weight256.10 g/mol
Exact Mass254.99
IUPAC Name(6S)-6-(3-bromophenyl)morpholin-2-one
SMILESO=C1CNC[C@H](c2cccc(Br)c2)O1
InChIInChI=1S/C10H10BrNO2/c11-8-3-1-2-7(4-8)9-5-12-6-10(13)14-9/h1-4,9,12H,5-6H2/t9-/m1/s1
InChIKeyACXUAMWCPKMVGZ-SECBINFHSA-N
XLogP1.64
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
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 ≤ 103

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Related Compounds

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CID 28806253
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CID 83188102
3-(3-bromophenyl)-7-methyl-3,4-dihydroisochromen-1-one
CID 175527907
2-(3-bromophenyl)pyrrolidin-3-one
CID 83843081
2-(3-bromophenyl)imidazolidine
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4-(3-bromophenyl)piperidine;hydrochloride
CID 46735221
3-(3-bromophenyl)-1,2,3,5,5a,6,7,8,9,9a-decahydrobenzo[e][1,4]oxazepine
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2-(3-bromophenyl)-7-methoxy-2,3-dihydrochromen-4-one
CID 114672505

Frequently Asked Questions

What is the IUPAC name of (6S)-6-(3-bromophenyl)morpholin-2-one?
The IUPAC name of (6S)-6-(3-bromophenyl)morpholin-2-one (CID 129373505) is (6S)-6-(3-bromophenyl)morpholin-2-one.
What is the SMILES notation for (6S)-6-(3-bromophenyl)morpholin-2-one?
The canonical SMILES for (6S)-6-(3-bromophenyl)morpholin-2-one is O=C1CNC[C@H](c2cccc(Br)c2)O1.
What is the InChIKey of (6S)-6-(3-bromophenyl)morpholin-2-one?
The InChIKey is ACXUAMWCPKMVGZ-SECBINFHSA-N. The full InChI is InChI=1S/C10H10BrNO2/c11-8-3-1-2-7(4-8)9-5-12-6-10(13)14-9/h1-4,9,12H,5-6H2/t9-/m1/s1.
What are the key properties of (6S)-6-(3-bromophenyl)morpholin-2-one?
(6S)-6-(3-bromophenyl)morpholin-2-one has a molecular weight of 256.10 g/mol, XLogP of 1.64, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (6S)-6-(3-bromophenyl)morpholin-2-one is sourced from PubChem (CID 129373505), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).