(5R)-5-[(E)-3-hydroxy-3-[3-(4-methylphenoxy)phenyl]prop-1-enyl]pyrrolidin-2-one

C20H21NO3 — CID 141111143

IUPAC(5R)-5-[(E)-3-hydroxy-3-[3-(4-methylphenoxy)phenyl]prop-1-enyl]pyrrolidin-2-one
SMILESCc1ccc(Oc2cccc(C(O)/C=C/[C@H]3CCC(=O)N3)c2)cc1
InChIInChI=1S/C20H21NO3/c1-14-5-9-17(10-6-14)24-18-4-2-3-15(13-18)19(22)11-7-16-8-12-20(23)21-16/h2-7,9-11,13,16,19,22H,8,12H2,1H3,(H,21,23)/b11-7+/t16-,19?/m0/s1
InChIKeyCJIUIIJYLZWRII-NYGFAYCJSA-N
MW323.39 g/mol
LogP3.66
Rot. Bonds5

About (5R)-5-[(E)-3-hydroxy-3-[3-(4-methylphenoxy)phenyl]prop-1-enyl]pyrrolidin-2-one

(5R)-5-[(E)-3-hydroxy-3-[3-(4-methylphenoxy)phenyl]prop-1-enyl]pyrrolidin-2-one (PubChem CID 141111143) has the molecular formula C20H21NO3 and a molecular weight of 323.39 g/mol. Its IUPAC name is (5R)-5-[(E)-3-hydroxy-3-[3-(4-methylphenoxy)phenyl]prop-1-enyl]pyrrolidin-2-one.

Molecular Properties

Compound Name(5R)-5-[(E)-3-hydroxy-3-[3-(4-methylphenoxy)phenyl]prop-1-enyl]pyrrolidin-2-one
PubChem CID141111143
Molecular FormulaC20H21NO3
Molecular Weight323.39 g/mol
Exact Mass323.15
IUPAC Name(5R)-5-[(E)-3-hydroxy-3-[3-(4-methylphenoxy)phenyl]prop-1-enyl]pyrrolidin-2-one
SMILESCc1ccc(Oc2cccc(C(O)/C=C/[C@H]3CCC(=O)N3)c2)cc1
InChIInChI=1S/C20H21NO3/c1-14-5-9-17(10-6-14)24-18-4-2-3-15(13-18)19(22)11-7-16-8-12-20(23)21-16/h2-7,9-11,13,16,19,22H,8,12H2,1H3,(H,21,23)/b11-7+/t16-,19?/m0/s1
InChIKeyCJIUIIJYLZWRII-NYGFAYCJSA-N
XLogP3.66
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.39
LogP ≤ 53.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(5R)-5-[(E)-3-[3-(4-chlorophenoxy)phenyl]-3-hydroxyprop-1-enyl]pyrrolidin-2-one
CID 141111132
(5R)-5-[(E)-3-hydroxy-3-[3-[(Z)-prop-1-enyl]phenyl]prop-1-enyl]pyrrolidin-2-one
CID 141111140
(5R)-5-[(E)-3-hydroxy-3-[3-(2-methylphenyl)phenyl]prop-1-enyl]pyrrolidin-2-one
CID 141060681
(5R)-5-[(S)-hydroxy-(3-methoxyphenyl)methyl]pyrrolidin-2-one
CID 135016515
anilino-[3-(4-methylphenoxy)phenyl]methanol
CID 142160349
phenyl 3-(4-methylphenyl)-3-(5-oxopyrrolidin-2-yl)propanoate
CID 54114709
(5R)-5-[(E)-3-hydroxy-3-[5-(trifluoromethyl)furan-2-yl]prop-1-enyl]pyrrolidin-2-one
CID 141111144
[4-[3-[4-(4-methylbenzoyl)phenoxy]phenoxy]phenyl]-(4-methylphenyl)methanone
CID 90192164
1-[(4-methylphenyl)-(3-phenoxyphenyl)methyl]pyrrolidine-2-carboxylic acid
CID 4558158
7-[2-[(3R)-3-hydroxy-3-[3-[3-(trifluoromethyl)phenoxy]phenyl]prop-1-enyl]-5-oxopyrrolidin-1-yl]heptanoic acid
CID 91209252
1-(3-phenoxyphenyl)ethanol
CID 12882419
(3-cyclopropyloxyphenyl)-(2,4-dimethylphenyl)methanol
CID 114520837

Frequently Asked Questions

What is the IUPAC name of (5R)-5-[(E)-3-hydroxy-3-[3-(4-methylphenoxy)phenyl]prop-1-enyl]pyrrolidin-2-one?
The IUPAC name of (5R)-5-[(E)-3-hydroxy-3-[3-(4-methylphenoxy)phenyl]prop-1-enyl]pyrrolidin-2-one (CID 141111143) is (5R)-5-[(E)-3-hydroxy-3-[3-(4-methylphenoxy)phenyl]prop-1-enyl]pyrrolidin-2-one.
What is the SMILES notation for (5R)-5-[(E)-3-hydroxy-3-[3-(4-methylphenoxy)phenyl]prop-1-enyl]pyrrolidin-2-one?
The canonical SMILES for (5R)-5-[(E)-3-hydroxy-3-[3-(4-methylphenoxy)phenyl]prop-1-enyl]pyrrolidin-2-one is Cc1ccc(Oc2cccc(C(O)/C=C/[C@H]3CCC(=O)N3)c2)cc1.
What is the InChIKey of (5R)-5-[(E)-3-hydroxy-3-[3-(4-methylphenoxy)phenyl]prop-1-enyl]pyrrolidin-2-one?
The InChIKey is CJIUIIJYLZWRII-NYGFAYCJSA-N. The full InChI is InChI=1S/C20H21NO3/c1-14-5-9-17(10-6-14)24-18-4-2-3-15(13-18)19(22)11-7-16-8-12-20(23)21-16/h2-7,9-11,13,16,19,22H,8,12H2,1H3,(H,21,23)/b11-7+/t16-,19?/m0/s1.
What are the key properties of (5R)-5-[(E)-3-hydroxy-3-[3-(4-methylphenoxy)phenyl]prop-1-enyl]pyrrolidin-2-one?
(5R)-5-[(E)-3-hydroxy-3-[3-(4-methylphenoxy)phenyl]prop-1-enyl]pyrrolidin-2-one has a molecular weight of 323.39 g/mol, XLogP of 3.66, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5R)-5-[(E)-3-hydroxy-3-[3-(4-methylphenoxy)phenyl]prop-1-enyl]pyrrolidin-2-one is sourced from PubChem (CID 141111143), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).