(5R)-5-[(E)-3-[3-(4-chlorophenoxy)phenyl]-3-hydroxyprop-1-enyl]pyrrolidin-2-one

C19H18ClNO3 — CID 141111132

IUPAC(5R)-5-[(E)-3-[3-(4-chlorophenoxy)phenyl]-3-hydroxyprop-1-enyl]pyrrolidin-2-one
SMILESO=C1CC[C@H](/C=C/C(O)c2cccc(Oc3ccc(Cl)cc3)c2)N1
InChIInChI=1S/C19H18ClNO3/c20-14-4-8-16(9-5-14)24-17-3-1-2-13(12-17)18(22)10-6-15-7-11-19(23)21-15/h1-6,8-10,12,15,18,22H,7,11H2,(H,21,23)/b10-6+/t15-,18?/m0/s1
InChIKeyFFPHYWBBGARBGO-AXECWKGLSA-N
MW343.81 g/mol
LogP4.00
Rot. Bonds5

About (5R)-5-[(E)-3-[3-(4-chlorophenoxy)phenyl]-3-hydroxyprop-1-enyl]pyrrolidin-2-one

(5R)-5-[(E)-3-[3-(4-chlorophenoxy)phenyl]-3-hydroxyprop-1-enyl]pyrrolidin-2-one (PubChem CID 141111132) has the molecular formula C19H18ClNO3 and a molecular weight of 343.81 g/mol. Its IUPAC name is (5R)-5-[(E)-3-[3-(4-chlorophenoxy)phenyl]-3-hydroxyprop-1-enyl]pyrrolidin-2-one.

Molecular Properties

Compound Name(5R)-5-[(E)-3-[3-(4-chlorophenoxy)phenyl]-3-hydroxyprop-1-enyl]pyrrolidin-2-one
PubChem CID141111132
Molecular FormulaC19H18ClNO3
Molecular Weight343.81 g/mol
Exact Mass343.10
IUPAC Name(5R)-5-[(E)-3-[3-(4-chlorophenoxy)phenyl]-3-hydroxyprop-1-enyl]pyrrolidin-2-one
SMILESO=C1CC[C@H](/C=C/C(O)c2cccc(Oc3ccc(Cl)cc3)c2)N1
InChIInChI=1S/C19H18ClNO3/c20-14-4-8-16(9-5-14)24-17-3-1-2-13(12-17)18(22)10-6-15-7-11-19(23)21-15/h1-6,8-10,12,15,18,22H,7,11H2,(H,21,23)/b10-6+/t15-,18?/m0/s1
InChIKeyFFPHYWBBGARBGO-AXECWKGLSA-N
XLogP4.00
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.81
LogP ≤ 54.00
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-hydroxy-3-[3-(4-methylphenoxy)phenyl]prop-1-enyl]pyrrolidin-2-one
CID 141111143
(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
(4-chlorophenyl) 3-cyano-2-cyclopropyl-3-(3-phenoxyphenyl)propanoate
CID 54188047
1-[3-(3-chlorophenoxy)phenyl]prop-2-en-1-ol
CID 141111166
[1-[1-[3-(4-chlorophenoxy)phenyl]ethyl]piperidin-4-yl] N-methylcarbamate
CID 91525854
(R)-(4-chlorophenyl)-(3-methoxyphenyl)methanol
CID 7146657
(S)-(4-chlorophenyl)-(3-methoxyphenyl)methanol
CID 7146658
(5R)-5-[(E)-3-hydroxy-3-[5-(trifluoromethyl)furan-2-yl]prop-1-enyl]pyrrolidin-2-one
CID 141111144
1-chloro-4-[(1R)-1-cyclopropyl-2-fluoro-4-[3-(4-fluorophenoxy)phenyl]but-2-enyl]benzene
CID 57096065
7-[2-[(3R)-3-hydroxy-3-[3-[3-(trifluoromethyl)phenoxy]phenyl]prop-1-enyl]-5-oxopyrrolidin-1-yl]heptanoic acid
CID 91209252

Frequently Asked Questions

What is the IUPAC name of (5R)-5-[(E)-3-[3-(4-chlorophenoxy)phenyl]-3-hydroxyprop-1-enyl]pyrrolidin-2-one?
The IUPAC name of (5R)-5-[(E)-3-[3-(4-chlorophenoxy)phenyl]-3-hydroxyprop-1-enyl]pyrrolidin-2-one (CID 141111132) is (5R)-5-[(E)-3-[3-(4-chlorophenoxy)phenyl]-3-hydroxyprop-1-enyl]pyrrolidin-2-one.
What is the SMILES notation for (5R)-5-[(E)-3-[3-(4-chlorophenoxy)phenyl]-3-hydroxyprop-1-enyl]pyrrolidin-2-one?
The canonical SMILES for (5R)-5-[(E)-3-[3-(4-chlorophenoxy)phenyl]-3-hydroxyprop-1-enyl]pyrrolidin-2-one is O=C1CC[C@H](/C=C/C(O)c2cccc(Oc3ccc(Cl)cc3)c2)N1.
What is the InChIKey of (5R)-5-[(E)-3-[3-(4-chlorophenoxy)phenyl]-3-hydroxyprop-1-enyl]pyrrolidin-2-one?
The InChIKey is FFPHYWBBGARBGO-AXECWKGLSA-N. The full InChI is InChI=1S/C19H18ClNO3/c20-14-4-8-16(9-5-14)24-17-3-1-2-13(12-17)18(22)10-6-15-7-11-19(23)21-15/h1-6,8-10,12,15,18,22H,7,11H2,(H,21,23)/b10-6+/t15-,18?/m0/s1.
What are the key properties of (5R)-5-[(E)-3-[3-(4-chlorophenoxy)phenyl]-3-hydroxyprop-1-enyl]pyrrolidin-2-one?
(5R)-5-[(E)-3-[3-(4-chlorophenoxy)phenyl]-3-hydroxyprop-1-enyl]pyrrolidin-2-one has a molecular weight of 343.81 g/mol, XLogP of 4.00, 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-[3-(4-chlorophenoxy)phenyl]-3-hydroxyprop-1-enyl]pyrrolidin-2-one is sourced from PubChem (CID 141111132), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).