1-[(3R)-3-[(4-fluorophenyl)methyl]morpholin-4-yl]pent-4-en-1-one

C16H20FNO2 — CID 122361309

IUPAC1-[(3R)-3-[(4-fluorophenyl)methyl]morpholin-4-yl]pent-4-en-1-one
SMILESC=CCCC(=O)N1CCOC[C@H]1Cc1ccc(F)cc1
InChIInChI=1S/C16H20FNO2/c1-2-3-4-16(19)18-9-10-20-12-15(18)11-13-5-7-14(17)8-6-13/h2,5-8,15H,1,3-4,9-12H2/t15-/m1/s1
InChIKeySZHMMWIMEOWOFP-OAHLLOKOSA-N
MW277.34 g/mol
LogP2.56
Rot. Bonds5

About 1-[(3R)-3-[(4-fluorophenyl)methyl]morpholin-4-yl]pent-4-en-1-one

1-[(3R)-3-[(4-fluorophenyl)methyl]morpholin-4-yl]pent-4-en-1-one (PubChem CID 122361309) has the molecular formula C16H20FNO2 and a molecular weight of 277.34 g/mol. Its IUPAC name is 1-[(3R)-3-[(4-fluorophenyl)methyl]morpholin-4-yl]pent-4-en-1-one.

Molecular Properties

Compound Name1-[(3R)-3-[(4-fluorophenyl)methyl]morpholin-4-yl]pent-4-en-1-one
PubChem CID122361309
Molecular FormulaC16H20FNO2
Molecular Weight277.34 g/mol
Exact Mass277.15
IUPAC Name1-[(3R)-3-[(4-fluorophenyl)methyl]morpholin-4-yl]pent-4-en-1-one
SMILESC=CCCC(=O)N1CCOC[C@H]1Cc1ccc(F)cc1
InChIInChI=1S/C16H20FNO2/c1-2-3-4-16(19)18-9-10-20-12-15(18)11-13-5-7-14(17)8-6-13/h2,5-8,15H,1,3-4,9-12H2/t15-/m1/s1
InChIKeySZHMMWIMEOWOFP-OAHLLOKOSA-N
XLogP2.56
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.34
LogP ≤ 52.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-[(3R)-3-[(4-fluorophenyl)methyl]morpholin-4-yl]pent-4-en-1-one?
The IUPAC name of 1-[(3R)-3-[(4-fluorophenyl)methyl]morpholin-4-yl]pent-4-en-1-one (CID 122361309) is 1-[(3R)-3-[(4-fluorophenyl)methyl]morpholin-4-yl]pent-4-en-1-one.
What is the SMILES notation for 1-[(3R)-3-[(4-fluorophenyl)methyl]morpholin-4-yl]pent-4-en-1-one?
The canonical SMILES for 1-[(3R)-3-[(4-fluorophenyl)methyl]morpholin-4-yl]pent-4-en-1-one is C=CCCC(=O)N1CCOC[C@H]1Cc1ccc(F)cc1.
What is the InChIKey of 1-[(3R)-3-[(4-fluorophenyl)methyl]morpholin-4-yl]pent-4-en-1-one?
The InChIKey is SZHMMWIMEOWOFP-OAHLLOKOSA-N. The full InChI is InChI=1S/C16H20FNO2/c1-2-3-4-16(19)18-9-10-20-12-15(18)11-13-5-7-14(17)8-6-13/h2,5-8,15H,1,3-4,9-12H2/t15-/m1/s1.
What are the key properties of 1-[(3R)-3-[(4-fluorophenyl)methyl]morpholin-4-yl]pent-4-en-1-one?
1-[(3R)-3-[(4-fluorophenyl)methyl]morpholin-4-yl]pent-4-en-1-one has a molecular weight of 277.34 g/mol, XLogP of 2.56, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3R)-3-[(4-fluorophenyl)methyl]morpholin-4-yl]pent-4-en-1-one is sourced from PubChem (CID 122361309), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).