1-[(1R,2S)-2-(cyclopropylmethoxy)-2-(4-fluorophenyl)-1-phenylethyl]pyrrolidin-2-one

C22H24FNO2 — CID 59552073

IUPAC1-[(1R,2S)-2-(cyclopropylmethoxy)-2-(4-fluorophenyl)-1-phenylethyl]pyrrolidin-2-one
SMILESO=C1CCCN1[C@H](c1ccccc1)[C@@H](OCC1CC1)c1ccc(F)cc1
InChIInChI=1S/C22H24FNO2/c23-19-12-10-18(11-13-19)22(26-15-16-8-9-16)21(17-5-2-1-3-6-17)24-14-4-7-20(24)25/h1-3,5-6,10-13,16,21-22H,4,7-9,14-15H2/t21-,22+/m1/s1
InChIKeyCOUJLZJJYZBXJE-YADHBBJMSA-N
MW353.44 g/mol
LogP4.66
Rot. Bonds7

About 1-[(1R,2S)-2-(cyclopropylmethoxy)-2-(4-fluorophenyl)-1-phenylethyl]pyrrolidin-2-one

1-[(1R,2S)-2-(cyclopropylmethoxy)-2-(4-fluorophenyl)-1-phenylethyl]pyrrolidin-2-one (PubChem CID 59552073) has the molecular formula C22H24FNO2 and a molecular weight of 353.44 g/mol. Its IUPAC name is 1-[(1R,2S)-2-(cyclopropylmethoxy)-2-(4-fluorophenyl)-1-phenylethyl]pyrrolidin-2-one.

Molecular Properties

Compound Name1-[(1R,2S)-2-(cyclopropylmethoxy)-2-(4-fluorophenyl)-1-phenylethyl]pyrrolidin-2-one
PubChem CID59552073
Molecular FormulaC22H24FNO2
Molecular Weight353.44 g/mol
Exact Mass353.18
IUPAC Name1-[(1R,2S)-2-(cyclopropylmethoxy)-2-(4-fluorophenyl)-1-phenylethyl]pyrrolidin-2-one
SMILESO=C1CCCN1[C@H](c1ccccc1)[C@@H](OCC1CC1)c1ccc(F)cc1
InChIInChI=1S/C22H24FNO2/c23-19-12-10-18(11-13-19)22(26-15-16-8-9-16)21(17-5-2-1-3-6-17)24-14-4-7-20(24)25/h1-3,5-6,10-13,16,21-22H,4,7-9,14-15H2/t21-,22+/m1/s1
InChIKeyCOUJLZJJYZBXJE-YADHBBJMSA-N
XLogP4.66
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.44
LogP ≤ 54.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-[(1R,2S)-2-(cyclopropylmethoxy)-2-(4-fluorophenyl)-1-phenylethyl]pyrrolidin-2-one?
The IUPAC name of 1-[(1R,2S)-2-(cyclopropylmethoxy)-2-(4-fluorophenyl)-1-phenylethyl]pyrrolidin-2-one (CID 59552073) is 1-[(1R,2S)-2-(cyclopropylmethoxy)-2-(4-fluorophenyl)-1-phenylethyl]pyrrolidin-2-one.
What is the SMILES notation for 1-[(1R,2S)-2-(cyclopropylmethoxy)-2-(4-fluorophenyl)-1-phenylethyl]pyrrolidin-2-one?
The canonical SMILES for 1-[(1R,2S)-2-(cyclopropylmethoxy)-2-(4-fluorophenyl)-1-phenylethyl]pyrrolidin-2-one is O=C1CCCN1[C@H](c1ccccc1)[C@@H](OCC1CC1)c1ccc(F)cc1.
What is the InChIKey of 1-[(1R,2S)-2-(cyclopropylmethoxy)-2-(4-fluorophenyl)-1-phenylethyl]pyrrolidin-2-one?
The InChIKey is COUJLZJJYZBXJE-YADHBBJMSA-N. The full InChI is InChI=1S/C22H24FNO2/c23-19-12-10-18(11-13-19)22(26-15-16-8-9-16)21(17-5-2-1-3-6-17)24-14-4-7-20(24)25/h1-3,5-6,10-13,16,21-22H,4,7-9,14-15H2/t21-,22+/m1/s1.
What are the key properties of 1-[(1R,2S)-2-(cyclopropylmethoxy)-2-(4-fluorophenyl)-1-phenylethyl]pyrrolidin-2-one?
1-[(1R,2S)-2-(cyclopropylmethoxy)-2-(4-fluorophenyl)-1-phenylethyl]pyrrolidin-2-one has a molecular weight of 353.44 g/mol, XLogP of 4.66, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1R,2S)-2-(cyclopropylmethoxy)-2-(4-fluorophenyl)-1-phenylethyl]pyrrolidin-2-one is sourced from PubChem (CID 59552073), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).