2-[(3R)-4-[(1R,2R)-2-(furan-2-yl)cyclopropanecarbonyl]morpholin-3-yl]-1-phenylethanone

C20H21NO4 — CID 124740066

IUPAC2-[(3R)-4-[(1R,2R)-2-(furan-2-yl)cyclopropanecarbonyl]morpholin-3-yl]-1-phenylethanone
SMILESO=C(C[C@@H]1COCCN1C(=O)[C@@H]1C[C@H]1c1ccco1)c1ccccc1
InChIInChI=1S/C20H21NO4/c22-18(14-5-2-1-3-6-14)11-15-13-24-10-8-21(15)20(23)17-12-16(17)19-7-4-9-25-19/h1-7,9,15-17H,8,10-13H2/t15-,16-,17-/m1/s1
InChIKeyUGNHMZCTNYKNLJ-BRWVUGGUSA-N
MW339.39 g/mol
LogP2.88
Rot. Bonds5

About 2-[(3R)-4-[(1R,2R)-2-(furan-2-yl)cyclopropanecarbonyl]morpholin-3-yl]-1-phenylethanone

2-[(3R)-4-[(1R,2R)-2-(furan-2-yl)cyclopropanecarbonyl]morpholin-3-yl]-1-phenylethanone (PubChem CID 124740066) has the molecular formula C20H21NO4 and a molecular weight of 339.39 g/mol. Its IUPAC name is 2-[(3R)-4-[(1R,2R)-2-(furan-2-yl)cyclopropanecarbonyl]morpholin-3-yl]-1-phenylethanone.

Molecular Properties

Compound Name2-[(3R)-4-[(1R,2R)-2-(furan-2-yl)cyclopropanecarbonyl]morpholin-3-yl]-1-phenylethanone
PubChem CID124740066
Molecular FormulaC20H21NO4
Molecular Weight339.39 g/mol
Exact Mass339.15
IUPAC Name2-[(3R)-4-[(1R,2R)-2-(furan-2-yl)cyclopropanecarbonyl]morpholin-3-yl]-1-phenylethanone
SMILESO=C(C[C@@H]1COCCN1C(=O)[C@@H]1C[C@H]1c1ccco1)c1ccccc1
InChIInChI=1S/C20H21NO4/c22-18(14-5-2-1-3-6-14)11-15-13-24-10-8-21(15)20(23)17-12-16(17)19-7-4-9-25-19/h1-7,9,15-17H,8,10-13H2/t15-,16-,17-/m1/s1
InChIKeyUGNHMZCTNYKNLJ-BRWVUGGUSA-N
XLogP2.88
TPSA59.75 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.39
LogP ≤ 52.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 2-[(3R)-4-[(1R,2R)-2-(furan-2-yl)cyclopropanecarbonyl]morpholin-3-yl]-1-phenylethanone with MolForge

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Related Compounds

1-(4-methylphenyl)-4-[(3S)-3-phenacylmorpholin-4-yl]butane-1,4-dione
CID 97320578
1-phenyl-2-[(3S)-4-(2-thiophen-2-ylacetyl)morpholin-3-yl]ethanone
CID 97320577
aziridin-1-yl-[2-(furan-2-yl)cyclopropyl]methanone
CID 130606481
2-[4-(2-ethyl-1,3-thiazole-5-carbonyl)morpholin-3-yl]-1-phenylethanone
CID 75426196
(2S)-1-[(3R)-3-phenacylmorpholin-4-yl]-2-pyrazol-1-ylpropan-1-one
CID 97320552
1-(3-phenacylmorpholin-4-yl)-2-pyrazol-1-ylpropan-1-one
CID 75426175
3-(5-methylfuran-2-yl)-1-[(3S)-3-phenacylmorpholin-4-yl]propan-1-one
CID 97320572
[(3R)-3-(hydroxymethyl)morpholin-4-yl]-phenylmethanone;hydrochloride
CID 118953500
2-[4-[2-(2-tert-butyl-1,3-thiazol-4-yl)acetyl]morpholin-3-yl]-1-phenylethanone
CID 75426197
[2-[(4-fluorophenyl)methyl]pyrrolidin-1-yl]-[2-(furan-2-yl)cyclopropyl]methanone
CID 56820630
2-[(3S)-4-(2-methylsulfanylethyl)morpholin-3-yl]-1-phenylethanone
CID 99855759
2-[(2S)-1-[(1R,2S,4R)-7-oxabicyclo[2.2.1]heptane-2-carbonyl]pyrrolidin-2-yl]-1-phenylethanone
CID 129424810

Frequently Asked Questions

What is the IUPAC name of 2-[(3R)-4-[(1R,2R)-2-(furan-2-yl)cyclopropanecarbonyl]morpholin-3-yl]-1-phenylethanone?
The IUPAC name of 2-[(3R)-4-[(1R,2R)-2-(furan-2-yl)cyclopropanecarbonyl]morpholin-3-yl]-1-phenylethanone (CID 124740066) is 2-[(3R)-4-[(1R,2R)-2-(furan-2-yl)cyclopropanecarbonyl]morpholin-3-yl]-1-phenylethanone.
What is the SMILES notation for 2-[(3R)-4-[(1R,2R)-2-(furan-2-yl)cyclopropanecarbonyl]morpholin-3-yl]-1-phenylethanone?
The canonical SMILES for 2-[(3R)-4-[(1R,2R)-2-(furan-2-yl)cyclopropanecarbonyl]morpholin-3-yl]-1-phenylethanone is O=C(C[C@@H]1COCCN1C(=O)[C@@H]1C[C@H]1c1ccco1)c1ccccc1.
What is the InChIKey of 2-[(3R)-4-[(1R,2R)-2-(furan-2-yl)cyclopropanecarbonyl]morpholin-3-yl]-1-phenylethanone?
The InChIKey is UGNHMZCTNYKNLJ-BRWVUGGUSA-N. The full InChI is InChI=1S/C20H21NO4/c22-18(14-5-2-1-3-6-14)11-15-13-24-10-8-21(15)20(23)17-12-16(17)19-7-4-9-25-19/h1-7,9,15-17H,8,10-13H2/t15-,16-,17-/m1/s1.
What are the key properties of 2-[(3R)-4-[(1R,2R)-2-(furan-2-yl)cyclopropanecarbonyl]morpholin-3-yl]-1-phenylethanone?
2-[(3R)-4-[(1R,2R)-2-(furan-2-yl)cyclopropanecarbonyl]morpholin-3-yl]-1-phenylethanone has a molecular weight of 339.39 g/mol, XLogP of 2.88, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3R)-4-[(1R,2R)-2-(furan-2-yl)cyclopropanecarbonyl]morpholin-3-yl]-1-phenylethanone is sourced from PubChem (CID 124740066), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).