(5R)-5-[(E)-3-hydroxy-3-[3-(2-methylphenyl)phenyl]prop-1-enyl]pyrrolidin-2-one

C20H21NO2 — CID 141060681

IUPAC(5R)-5-[(E)-3-hydroxy-3-[3-(2-methylphenyl)phenyl]prop-1-enyl]pyrrolidin-2-one
SMILESCc1ccccc1-c1cccc(C(O)/C=C/[C@H]2CCC(=O)N2)c1
InChIInChI=1S/C20H21NO2/c1-14-5-2-3-8-18(14)15-6-4-7-16(13-15)19(22)11-9-17-10-12-20(23)21-17/h2-9,11,13,17,19,22H,10,12H2,1H3,(H,21,23)/b11-9+/t17-,19?/m0/s1
InChIKeyPPGZDMDJFPWIIM-JZHLQGLFSA-N
MW307.39 g/mol
LogP3.53
Rot. Bonds4

About (5R)-5-[(E)-3-hydroxy-3-[3-(2-methylphenyl)phenyl]prop-1-enyl]pyrrolidin-2-one

(5R)-5-[(E)-3-hydroxy-3-[3-(2-methylphenyl)phenyl]prop-1-enyl]pyrrolidin-2-one (PubChem CID 141060681) has the molecular formula C20H21NO2 and a molecular weight of 307.39 g/mol. Its IUPAC name is (5R)-5-[(E)-3-hydroxy-3-[3-(2-methylphenyl)phenyl]prop-1-enyl]pyrrolidin-2-one.

Molecular Properties

Compound Name(5R)-5-[(E)-3-hydroxy-3-[3-(2-methylphenyl)phenyl]prop-1-enyl]pyrrolidin-2-one
PubChem CID141060681
Molecular FormulaC20H21NO2
Molecular Weight307.39 g/mol
Exact Mass307.16
IUPAC Name(5R)-5-[(E)-3-hydroxy-3-[3-(2-methylphenyl)phenyl]prop-1-enyl]pyrrolidin-2-one
SMILESCc1ccccc1-c1cccc(C(O)/C=C/[C@H]2CCC(=O)N2)c1
InChIInChI=1S/C20H21NO2/c1-14-5-2-3-8-18(14)15-6-4-7-16(13-15)19(22)11-9-17-10-12-20(23)21-17/h2-9,11,13,17,19,22H,10,12H2,1H3,(H,21,23)/b11-9+/t17-,19?/m0/s1
InChIKeyPPGZDMDJFPWIIM-JZHLQGLFSA-N
XLogP3.53
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.39
LogP ≤ 53.53
H-Bond Donors ≤ 52
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 (5R)-5-[(E)-3-hydroxy-3-[3-(2-methylphenyl)phenyl]prop-1-enyl]pyrrolidin-2-one?
The IUPAC name of (5R)-5-[(E)-3-hydroxy-3-[3-(2-methylphenyl)phenyl]prop-1-enyl]pyrrolidin-2-one (CID 141060681) is (5R)-5-[(E)-3-hydroxy-3-[3-(2-methylphenyl)phenyl]prop-1-enyl]pyrrolidin-2-one.
What is the SMILES notation for (5R)-5-[(E)-3-hydroxy-3-[3-(2-methylphenyl)phenyl]prop-1-enyl]pyrrolidin-2-one?
The canonical SMILES for (5R)-5-[(E)-3-hydroxy-3-[3-(2-methylphenyl)phenyl]prop-1-enyl]pyrrolidin-2-one is Cc1ccccc1-c1cccc(C(O)/C=C/[C@H]2CCC(=O)N2)c1.
What is the InChIKey of (5R)-5-[(E)-3-hydroxy-3-[3-(2-methylphenyl)phenyl]prop-1-enyl]pyrrolidin-2-one?
The InChIKey is PPGZDMDJFPWIIM-JZHLQGLFSA-N. The full InChI is InChI=1S/C20H21NO2/c1-14-5-2-3-8-18(14)15-6-4-7-16(13-15)19(22)11-9-17-10-12-20(23)21-17/h2-9,11,13,17,19,22H,10,12H2,1H3,(H,21,23)/b11-9+/t17-,19?/m0/s1.
What are the key properties of (5R)-5-[(E)-3-hydroxy-3-[3-(2-methylphenyl)phenyl]prop-1-enyl]pyrrolidin-2-one?
(5R)-5-[(E)-3-hydroxy-3-[3-(2-methylphenyl)phenyl]prop-1-enyl]pyrrolidin-2-one has a molecular weight of 307.39 g/mol, XLogP of 3.53, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (5R)-5-[(E)-3-hydroxy-3-[3-(2-methylphenyl)phenyl]prop-1-enyl]pyrrolidin-2-one is sourced from PubChem (CID 141060681), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).