(4R)-4-(1-hydroxyethyl)-1-[1-(4-methoxyphenyl)ethyl]pyrrolidin-2-one

C15H21NO3 — CID 134325581

IUPAC(4R)-4-(1-hydroxyethyl)-1-[1-(4-methoxyphenyl)ethyl]pyrrolidin-2-one
SMILESCOc1ccc(C(C)N2C[C@H](C(C)O)CC2=O)cc1
InChIInChI=1S/C15H21NO3/c1-10(12-4-6-14(19-3)7-5-12)16-9-13(11(2)17)8-15(16)18/h4-7,10-11,13,17H,8-9H2,1-3H3/t10?,11?,13-/m1/s1
InChIKeyPMHXOVWGWGSGGS-GCZXYKMCSA-N
MW263.34 g/mol
LogP1.99
Rot. Bonds4

About (4R)-4-(1-hydroxyethyl)-1-[1-(4-methoxyphenyl)ethyl]pyrrolidin-2-one

(4R)-4-(1-hydroxyethyl)-1-[1-(4-methoxyphenyl)ethyl]pyrrolidin-2-one (PubChem CID 134325581) has the molecular formula C15H21NO3 and a molecular weight of 263.34 g/mol. Its IUPAC name is (4R)-4-(1-hydroxyethyl)-1-[1-(4-methoxyphenyl)ethyl]pyrrolidin-2-one.

Molecular Properties

Compound Name(4R)-4-(1-hydroxyethyl)-1-[1-(4-methoxyphenyl)ethyl]pyrrolidin-2-one
PubChem CID134325581
Molecular FormulaC15H21NO3
Molecular Weight263.34 g/mol
Exact Mass263.15
IUPAC Name(4R)-4-(1-hydroxyethyl)-1-[1-(4-methoxyphenyl)ethyl]pyrrolidin-2-one
SMILESCOc1ccc(C(C)N2C[C@H](C(C)O)CC2=O)cc1
InChIInChI=1S/C15H21NO3/c1-10(12-4-6-14(19-3)7-5-12)16-9-13(11(2)17)8-15(16)18/h4-7,10-11,13,17H,8-9H2,1-3H3/t10?,11?,13-/m1/s1
InChIKeyPMHXOVWGWGSGGS-GCZXYKMCSA-N
XLogP1.99
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.34
LogP ≤ 51.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (4R)-4-(1-hydroxyethyl)-1-[1-(4-methoxyphenyl)ethyl]pyrrolidin-2-one?
The IUPAC name of (4R)-4-(1-hydroxyethyl)-1-[1-(4-methoxyphenyl)ethyl]pyrrolidin-2-one (CID 134325581) is (4R)-4-(1-hydroxyethyl)-1-[1-(4-methoxyphenyl)ethyl]pyrrolidin-2-one.
What is the SMILES notation for (4R)-4-(1-hydroxyethyl)-1-[1-(4-methoxyphenyl)ethyl]pyrrolidin-2-one?
The canonical SMILES for (4R)-4-(1-hydroxyethyl)-1-[1-(4-methoxyphenyl)ethyl]pyrrolidin-2-one is COc1ccc(C(C)N2C[C@H](C(C)O)CC2=O)cc1.
What is the InChIKey of (4R)-4-(1-hydroxyethyl)-1-[1-(4-methoxyphenyl)ethyl]pyrrolidin-2-one?
The InChIKey is PMHXOVWGWGSGGS-GCZXYKMCSA-N. The full InChI is InChI=1S/C15H21NO3/c1-10(12-4-6-14(19-3)7-5-12)16-9-13(11(2)17)8-15(16)18/h4-7,10-11,13,17H,8-9H2,1-3H3/t10?,11?,13-/m1/s1.
What are the key properties of (4R)-4-(1-hydroxyethyl)-1-[1-(4-methoxyphenyl)ethyl]pyrrolidin-2-one?
(4R)-4-(1-hydroxyethyl)-1-[1-(4-methoxyphenyl)ethyl]pyrrolidin-2-one has a molecular weight of 263.34 g/mol, XLogP of 1.99, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-4-(1-hydroxyethyl)-1-[1-(4-methoxyphenyl)ethyl]pyrrolidin-2-one is sourced from PubChem (CID 134325581), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).