(5S)-5-[(4-methoxyphenyl)methyl]morpholin-3-one

C12H15NO3 — CID 166471827

IUPAC(5S)-5-[(4-methoxyphenyl)methyl]morpholin-3-one
SMILESCOc1ccc(C[C@H]2COCC(=O)N2)cc1
InChIInChI=1S/C12H15NO3/c1-15-11-4-2-9(3-5-11)6-10-7-16-8-12(14)13-10/h2-5,10H,6-8H2,1H3,(H,13,14)/t10-/m0/s1
InChIKeyBKGWUIPRQDBKPY-JTQLQIEISA-N
MW221.26 g/mol
LogP0.75
Rot. Bonds3

About (5S)-5-[(4-methoxyphenyl)methyl]morpholin-3-one

(5S)-5-[(4-methoxyphenyl)methyl]morpholin-3-one (PubChem CID 166471827) has the molecular formula C12H15NO3 and a molecular weight of 221.26 g/mol. Its IUPAC name is (5S)-5-[(4-methoxyphenyl)methyl]morpholin-3-one.

Molecular Properties

Compound Name(5S)-5-[(4-methoxyphenyl)methyl]morpholin-3-one
PubChem CID166471827
Molecular FormulaC12H15NO3
Molecular Weight221.26 g/mol
Exact Mass221.11
IUPAC Name(5S)-5-[(4-methoxyphenyl)methyl]morpholin-3-one
SMILESCOc1ccc(C[C@H]2COCC(=O)N2)cc1
InChIInChI=1S/C12H15NO3/c1-15-11-4-2-9(3-5-11)6-10-7-16-8-12(14)13-10/h2-5,10H,6-8H2,1H3,(H,13,14)/t10-/m0/s1
InChIKeyBKGWUIPRQDBKPY-JTQLQIEISA-N
XLogP0.75
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.26
LogP ≤ 50.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (5S)-5-[(4-methoxyphenyl)methyl]morpholin-3-one?
The IUPAC name of (5S)-5-[(4-methoxyphenyl)methyl]morpholin-3-one (CID 166471827) is (5S)-5-[(4-methoxyphenyl)methyl]morpholin-3-one.
What is the SMILES notation for (5S)-5-[(4-methoxyphenyl)methyl]morpholin-3-one?
The canonical SMILES for (5S)-5-[(4-methoxyphenyl)methyl]morpholin-3-one is COc1ccc(C[C@H]2COCC(=O)N2)cc1.
What is the InChIKey of (5S)-5-[(4-methoxyphenyl)methyl]morpholin-3-one?
The InChIKey is BKGWUIPRQDBKPY-JTQLQIEISA-N. The full InChI is InChI=1S/C12H15NO3/c1-15-11-4-2-9(3-5-11)6-10-7-16-8-12(14)13-10/h2-5,10H,6-8H2,1H3,(H,13,14)/t10-/m0/s1.
What are the key properties of (5S)-5-[(4-methoxyphenyl)methyl]morpholin-3-one?
(5S)-5-[(4-methoxyphenyl)methyl]morpholin-3-one has a molecular weight of 221.26 g/mol, XLogP of 0.75, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5S)-5-[(4-methoxyphenyl)methyl]morpholin-3-one is sourced from PubChem (CID 166471827), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).