3-[(2S)-2-(furan-2-yl)morpholin-4-yl]-1-phenylpropan-1-one

C17H19NO3 — CID 124616213

IUPAC3-[(2S)-2-(furan-2-yl)morpholin-4-yl]-1-phenylpropan-1-one
SMILESO=C(CCN1CCO[C@H](c2ccco2)C1)c1ccccc1
InChIInChI=1S/C17H19NO3/c19-15(14-5-2-1-3-6-14)8-9-18-10-12-21-17(13-18)16-7-4-11-20-16/h1-7,11,17H,8-10,12-13H2/t17-/m0/s1
InChIKeyCVURJFPULGGCNY-KRWDZBQOSA-N
MW285.34 g/mol
LogP2.93
Rot. Bonds5

About 3-[(2S)-2-(furan-2-yl)morpholin-4-yl]-1-phenylpropan-1-one

3-[(2S)-2-(furan-2-yl)morpholin-4-yl]-1-phenylpropan-1-one (PubChem CID 124616213) has the molecular formula C17H19NO3 and a molecular weight of 285.34 g/mol. Its IUPAC name is 3-[(2S)-2-(furan-2-yl)morpholin-4-yl]-1-phenylpropan-1-one.

Molecular Properties

Compound Name3-[(2S)-2-(furan-2-yl)morpholin-4-yl]-1-phenylpropan-1-one
PubChem CID124616213
Molecular FormulaC17H19NO3
Molecular Weight285.34 g/mol
Exact Mass285.14
IUPAC Name3-[(2S)-2-(furan-2-yl)morpholin-4-yl]-1-phenylpropan-1-one
SMILESO=C(CCN1CCO[C@H](c2ccco2)C1)c1ccccc1
InChIInChI=1S/C17H19NO3/c19-15(14-5-2-1-3-6-14)8-9-18-10-12-21-17(13-18)16-7-4-11-20-16/h1-7,11,17H,8-10,12-13H2/t17-/m0/s1
InChIKeyCVURJFPULGGCNY-KRWDZBQOSA-N
XLogP2.93
TPSA42.68 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.34
LogP ≤ 52.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-[(2S)-2-(furan-2-yl)morpholin-4-yl]-1-phenylpropan-1-one?
The IUPAC name of 3-[(2S)-2-(furan-2-yl)morpholin-4-yl]-1-phenylpropan-1-one (CID 124616213) is 3-[(2S)-2-(furan-2-yl)morpholin-4-yl]-1-phenylpropan-1-one.
What is the SMILES notation for 3-[(2S)-2-(furan-2-yl)morpholin-4-yl]-1-phenylpropan-1-one?
The canonical SMILES for 3-[(2S)-2-(furan-2-yl)morpholin-4-yl]-1-phenylpropan-1-one is O=C(CCN1CCO[C@H](c2ccco2)C1)c1ccccc1.
What is the InChIKey of 3-[(2S)-2-(furan-2-yl)morpholin-4-yl]-1-phenylpropan-1-one?
The InChIKey is CVURJFPULGGCNY-KRWDZBQOSA-N. The full InChI is InChI=1S/C17H19NO3/c19-15(14-5-2-1-3-6-14)8-9-18-10-12-21-17(13-18)16-7-4-11-20-16/h1-7,11,17H,8-10,12-13H2/t17-/m0/s1.
What are the key properties of 3-[(2S)-2-(furan-2-yl)morpholin-4-yl]-1-phenylpropan-1-one?
3-[(2S)-2-(furan-2-yl)morpholin-4-yl]-1-phenylpropan-1-one has a molecular weight of 285.34 g/mol, XLogP of 2.93, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2S)-2-(furan-2-yl)morpholin-4-yl]-1-phenylpropan-1-one is sourced from PubChem (CID 124616213), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).