1-[(2S)-2-cyclohexyl-1-(4-fluorophenyl)-2-methoxyethyl]pyrrolidin-2-one

C19H26FNO2 — CID 70836720

IUPAC1-[(2S)-2-cyclohexyl-1-(4-fluorophenyl)-2-methoxyethyl]pyrrolidin-2-one
SMILESCO[C@@H](C1CCCCC1)C(c1ccc(F)cc1)N1CCCC1=O
InChIInChI=1S/C19H26FNO2/c1-23-19(15-6-3-2-4-7-15)18(21-13-5-8-17(21)22)14-9-11-16(20)12-10-14/h9-12,15,18-19H,2-8,13H2,1H3/t18?,19-/m0/s1
InChIKeyNWXSEKGMIAALNT-GGYWPGCISA-N
MW319.42 g/mol
LogP4.08
Rot. Bonds5

About 1-[(2S)-2-cyclohexyl-1-(4-fluorophenyl)-2-methoxyethyl]pyrrolidin-2-one

1-[(2S)-2-cyclohexyl-1-(4-fluorophenyl)-2-methoxyethyl]pyrrolidin-2-one (PubChem CID 70836720) has the molecular formula C19H26FNO2 and a molecular weight of 319.42 g/mol. Its IUPAC name is 1-[(2S)-2-cyclohexyl-1-(4-fluorophenyl)-2-methoxyethyl]pyrrolidin-2-one.

Molecular Properties

Compound Name1-[(2S)-2-cyclohexyl-1-(4-fluorophenyl)-2-methoxyethyl]pyrrolidin-2-one
PubChem CID70836720
Molecular FormulaC19H26FNO2
Molecular Weight319.42 g/mol
Exact Mass319.19
IUPAC Name1-[(2S)-2-cyclohexyl-1-(4-fluorophenyl)-2-methoxyethyl]pyrrolidin-2-one
SMILESCO[C@@H](C1CCCCC1)C(c1ccc(F)cc1)N1CCCC1=O
InChIInChI=1S/C19H26FNO2/c1-23-19(15-6-3-2-4-7-15)18(21-13-5-8-17(21)22)14-9-11-16(20)12-10-14/h9-12,15,18-19H,2-8,13H2,1H3/t18?,19-/m0/s1
InChIKeyNWXSEKGMIAALNT-GGYWPGCISA-N
XLogP4.08
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.42
LogP ≤ 54.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-[(2S)-2-cyclohexyl-1-(4-fluorophenyl)-2-methoxyethyl]pyrrolidin-2-one?
The IUPAC name of 1-[(2S)-2-cyclohexyl-1-(4-fluorophenyl)-2-methoxyethyl]pyrrolidin-2-one (CID 70836720) is 1-[(2S)-2-cyclohexyl-1-(4-fluorophenyl)-2-methoxyethyl]pyrrolidin-2-one.
What is the SMILES notation for 1-[(2S)-2-cyclohexyl-1-(4-fluorophenyl)-2-methoxyethyl]pyrrolidin-2-one?
The canonical SMILES for 1-[(2S)-2-cyclohexyl-1-(4-fluorophenyl)-2-methoxyethyl]pyrrolidin-2-one is CO[C@@H](C1CCCCC1)C(c1ccc(F)cc1)N1CCCC1=O.
What is the InChIKey of 1-[(2S)-2-cyclohexyl-1-(4-fluorophenyl)-2-methoxyethyl]pyrrolidin-2-one?
The InChIKey is NWXSEKGMIAALNT-GGYWPGCISA-N. The full InChI is InChI=1S/C19H26FNO2/c1-23-19(15-6-3-2-4-7-15)18(21-13-5-8-17(21)22)14-9-11-16(20)12-10-14/h9-12,15,18-19H,2-8,13H2,1H3/t18?,19-/m0/s1.
What are the key properties of 1-[(2S)-2-cyclohexyl-1-(4-fluorophenyl)-2-methoxyethyl]pyrrolidin-2-one?
1-[(2S)-2-cyclohexyl-1-(4-fluorophenyl)-2-methoxyethyl]pyrrolidin-2-one has a molecular weight of 319.42 g/mol, XLogP of 4.08, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2S)-2-cyclohexyl-1-(4-fluorophenyl)-2-methoxyethyl]pyrrolidin-2-one is sourced from PubChem (CID 70836720), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).