(3S)-3-ethyl-1-(4-methoxyphenyl)-3-phenylpyrrolidin-2-one

C19H21NO2 — CID 155071229

IUPAC(3S)-3-ethyl-1-(4-methoxyphenyl)-3-phenylpyrrolidin-2-one
SMILESCC[C@@]1(c2ccccc2)CCN(c2ccc(OC)cc2)C1=O
InChIInChI=1S/C19H21NO2/c1-3-19(15-7-5-4-6-8-15)13-14-20(18(19)21)16-9-11-17(22-2)12-10-16/h4-12H,3,13-14H2,1-2H3/t19-/m0/s1
InChIKeyANXUQXMIZXPSJE-IBGZPJMESA-N
MW295.38 g/mol
LogP3.78
Rot. Bonds4

About (3S)-3-ethyl-1-(4-methoxyphenyl)-3-phenylpyrrolidin-2-one

(3S)-3-ethyl-1-(4-methoxyphenyl)-3-phenylpyrrolidin-2-one (PubChem CID 155071229) has the molecular formula C19H21NO2 and a molecular weight of 295.38 g/mol. Its IUPAC name is (3S)-3-ethyl-1-(4-methoxyphenyl)-3-phenylpyrrolidin-2-one.

Molecular Properties

Compound Name(3S)-3-ethyl-1-(4-methoxyphenyl)-3-phenylpyrrolidin-2-one
PubChem CID155071229
Molecular FormulaC19H21NO2
Molecular Weight295.38 g/mol
Exact Mass295.16
IUPAC Name(3S)-3-ethyl-1-(4-methoxyphenyl)-3-phenylpyrrolidin-2-one
SMILESCC[C@@]1(c2ccccc2)CCN(c2ccc(OC)cc2)C1=O
InChIInChI=1S/C19H21NO2/c1-3-19(15-7-5-4-6-8-15)13-14-20(18(19)21)16-9-11-17(22-2)12-10-16/h4-12H,3,13-14H2,1-2H3/t19-/m0/s1
InChIKeyANXUQXMIZXPSJE-IBGZPJMESA-N
XLogP3.78
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.38
LogP ≤ 53.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (3S)-3-ethyl-1-(4-methoxyphenyl)-3-phenylpyrrolidin-2-one?
The IUPAC name of (3S)-3-ethyl-1-(4-methoxyphenyl)-3-phenylpyrrolidin-2-one (CID 155071229) is (3S)-3-ethyl-1-(4-methoxyphenyl)-3-phenylpyrrolidin-2-one.
What is the SMILES notation for (3S)-3-ethyl-1-(4-methoxyphenyl)-3-phenylpyrrolidin-2-one?
The canonical SMILES for (3S)-3-ethyl-1-(4-methoxyphenyl)-3-phenylpyrrolidin-2-one is CC[C@@]1(c2ccccc2)CCN(c2ccc(OC)cc2)C1=O.
What is the InChIKey of (3S)-3-ethyl-1-(4-methoxyphenyl)-3-phenylpyrrolidin-2-one?
The InChIKey is ANXUQXMIZXPSJE-IBGZPJMESA-N. The full InChI is InChI=1S/C19H21NO2/c1-3-19(15-7-5-4-6-8-15)13-14-20(18(19)21)16-9-11-17(22-2)12-10-16/h4-12H,3,13-14H2,1-2H3/t19-/m0/s1.
What are the key properties of (3S)-3-ethyl-1-(4-methoxyphenyl)-3-phenylpyrrolidin-2-one?
(3S)-3-ethyl-1-(4-methoxyphenyl)-3-phenylpyrrolidin-2-one has a molecular weight of 295.38 g/mol, XLogP of 3.78, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-3-ethyl-1-(4-methoxyphenyl)-3-phenylpyrrolidin-2-one is sourced from PubChem (CID 155071229), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).