(2S)-2-cyclohexyl-1-[(4-fluorophenyl)methyl]-3-hydroxy-2H-pyrrol-5-one

C17H20FNO2 — CID 68697249

IUPAC(2S)-2-cyclohexyl-1-[(4-fluorophenyl)methyl]-3-hydroxy-2H-pyrrol-5-one
SMILESO=C1C=C(O)[C@H](C2CCCCC2)N1Cc1ccc(F)cc1
InChIInChI=1S/C17H20FNO2/c18-14-8-6-12(7-9-14)11-19-16(21)10-15(20)17(19)13-4-2-1-3-5-13/h6-10,13,17,20H,1-5,11H2/t17-/m0/s1
InChIKeyAOLSDJKMHPLTAP-KRWDZBQOSA-N
MW289.35 g/mol
LogP3.56
Rot. Bonds3

About (2S)-2-cyclohexyl-1-[(4-fluorophenyl)methyl]-3-hydroxy-2H-pyrrol-5-one

(2S)-2-cyclohexyl-1-[(4-fluorophenyl)methyl]-3-hydroxy-2H-pyrrol-5-one (PubChem CID 68697249) has the molecular formula C17H20FNO2 and a molecular weight of 289.35 g/mol. Its IUPAC name is (2S)-2-cyclohexyl-1-[(4-fluorophenyl)methyl]-3-hydroxy-2H-pyrrol-5-one.

Molecular Properties

Compound Name(2S)-2-cyclohexyl-1-[(4-fluorophenyl)methyl]-3-hydroxy-2H-pyrrol-5-one
PubChem CID68697249
Molecular FormulaC17H20FNO2
Molecular Weight289.35 g/mol
Exact Mass289.15
IUPAC Name(2S)-2-cyclohexyl-1-[(4-fluorophenyl)methyl]-3-hydroxy-2H-pyrrol-5-one
SMILESO=C1C=C(O)[C@H](C2CCCCC2)N1Cc1ccc(F)cc1
InChIInChI=1S/C17H20FNO2/c18-14-8-6-12(7-9-14)11-19-16(21)10-15(20)17(19)13-4-2-1-3-5-13/h6-10,13,17,20H,1-5,11H2/t17-/m0/s1
InChIKeyAOLSDJKMHPLTAP-KRWDZBQOSA-N
XLogP3.56
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.35
LogP ≤ 53.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (2S)-2-cyclohexyl-1-[(4-fluorophenyl)methyl]-3-hydroxy-2H-pyrrol-5-one?
The IUPAC name of (2S)-2-cyclohexyl-1-[(4-fluorophenyl)methyl]-3-hydroxy-2H-pyrrol-5-one (CID 68697249) is (2S)-2-cyclohexyl-1-[(4-fluorophenyl)methyl]-3-hydroxy-2H-pyrrol-5-one.
What is the SMILES notation for (2S)-2-cyclohexyl-1-[(4-fluorophenyl)methyl]-3-hydroxy-2H-pyrrol-5-one?
The canonical SMILES for (2S)-2-cyclohexyl-1-[(4-fluorophenyl)methyl]-3-hydroxy-2H-pyrrol-5-one is O=C1C=C(O)[C@H](C2CCCCC2)N1Cc1ccc(F)cc1.
What is the InChIKey of (2S)-2-cyclohexyl-1-[(4-fluorophenyl)methyl]-3-hydroxy-2H-pyrrol-5-one?
The InChIKey is AOLSDJKMHPLTAP-KRWDZBQOSA-N. The full InChI is InChI=1S/C17H20FNO2/c18-14-8-6-12(7-9-14)11-19-16(21)10-15(20)17(19)13-4-2-1-3-5-13/h6-10,13,17,20H,1-5,11H2/t17-/m0/s1.
What are the key properties of (2S)-2-cyclohexyl-1-[(4-fluorophenyl)methyl]-3-hydroxy-2H-pyrrol-5-one?
(2S)-2-cyclohexyl-1-[(4-fluorophenyl)methyl]-3-hydroxy-2H-pyrrol-5-one has a molecular weight of 289.35 g/mol, XLogP of 3.56, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-cyclohexyl-1-[(4-fluorophenyl)methyl]-3-hydroxy-2H-pyrrol-5-one is sourced from PubChem (CID 68697249), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).