(4S)-4-(3-ethoxy-4-methoxyphenyl)pyrrolidin-2-one

C13H17NO3 — CID 53237458

IUPAC(4S)-4-(3-ethoxy-4-methoxyphenyl)pyrrolidin-2-one
SMILESCCOc1cc([C@H]2CNC(=O)C2)ccc1OC
InChIInChI=1S/C13H17NO3/c1-3-17-12-6-9(4-5-11(12)16-2)10-7-13(15)14-8-10/h4-6,10H,3,7-8H2,1-2H3,(H,14,15)/t10-/m1/s1
InChIKeyVTARTKPFBJOKKS-SNVBAGLBSA-N
MW235.28 g/mol
LogP1.70
Rot. Bonds4

About (4S)-4-(3-ethoxy-4-methoxyphenyl)pyrrolidin-2-one

(4S)-4-(3-ethoxy-4-methoxyphenyl)pyrrolidin-2-one (PubChem CID 53237458) has the molecular formula C13H17NO3 and a molecular weight of 235.28 g/mol. Its IUPAC name is (4S)-4-(3-ethoxy-4-methoxyphenyl)pyrrolidin-2-one.

Molecular Properties

Compound Name(4S)-4-(3-ethoxy-4-methoxyphenyl)pyrrolidin-2-one
PubChem CID53237458
Molecular FormulaC13H17NO3
Molecular Weight235.28 g/mol
Exact Mass235.12
IUPAC Name(4S)-4-(3-ethoxy-4-methoxyphenyl)pyrrolidin-2-one
SMILESCCOc1cc([C@H]2CNC(=O)C2)ccc1OC
InChIInChI=1S/C13H17NO3/c1-3-17-12-6-9(4-5-11(12)16-2)10-7-13(15)14-8-10/h4-6,10H,3,7-8H2,1-2H3,(H,14,15)/t10-/m1/s1
InChIKeyVTARTKPFBJOKKS-SNVBAGLBSA-N
XLogP1.70
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.28
LogP ≤ 51.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-[3-(2-chloroethoxy)-4-methoxyphenyl]pyrrolidin-2-one
CID 23345044
4-(3-cyclopentyloxy-4-methoxyphenyl)pyrrolidin-2-one
CID 5092
4-[3-(1-cyclohexylpropoxy)-4-methoxyphenyl]pyrrolidin-2-one
CID 91121012
4-[4-methoxy-3-(1,2,2,3,3,4,4,5,5-nonadeuteriocyclopentyl)oxyphenyl]pyrrolidin-2-one
CID 46842433
4-[4-methoxy-3-[2-(4-phenylpiperazin-1-yl)ethoxy]phenyl]pyrrolidin-2-one
CID 3018452
3-(3-ethoxy-4-methoxyphenyl)pyrrolidine
CID 116989297
4-(4-methoxy-3-phenylphenyl)pyrrolidin-2-one
CID 14529704
4-(3,4-diethoxyphenyl)azetidin-2-one
CID 131885056
5-(3-ethoxy-4-methoxyphenyl)-3-[(4-fluorophenyl)methyl]piperidin-2-one
CID 69048752
N-(3-ethoxy-4-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide
CID 78981746
4-[3-[3-[4-(4-fluorobenzoyl)piperidin-1-yl]-2-hydroxypropoxy]-4-methoxyphenyl]pyrrolidin-2-one
CID 23345033
4-[3-(3-hydroxy-4-piperazin-1-ylbutan-2-yl)oxy-4-methoxyphenyl]pyrrolidin-2-one
CID 23345030

Frequently Asked Questions

What is the IUPAC name of (4S)-4-(3-ethoxy-4-methoxyphenyl)pyrrolidin-2-one?
The IUPAC name of (4S)-4-(3-ethoxy-4-methoxyphenyl)pyrrolidin-2-one (CID 53237458) is (4S)-4-(3-ethoxy-4-methoxyphenyl)pyrrolidin-2-one.
What is the SMILES notation for (4S)-4-(3-ethoxy-4-methoxyphenyl)pyrrolidin-2-one?
The canonical SMILES for (4S)-4-(3-ethoxy-4-methoxyphenyl)pyrrolidin-2-one is CCOc1cc([C@H]2CNC(=O)C2)ccc1OC.
What is the InChIKey of (4S)-4-(3-ethoxy-4-methoxyphenyl)pyrrolidin-2-one?
The InChIKey is VTARTKPFBJOKKS-SNVBAGLBSA-N. The full InChI is InChI=1S/C13H17NO3/c1-3-17-12-6-9(4-5-11(12)16-2)10-7-13(15)14-8-10/h4-6,10H,3,7-8H2,1-2H3,(H,14,15)/t10-/m1/s1.
What are the key properties of (4S)-4-(3-ethoxy-4-methoxyphenyl)pyrrolidin-2-one?
(4S)-4-(3-ethoxy-4-methoxyphenyl)pyrrolidin-2-one has a molecular weight of 235.28 g/mol, XLogP of 1.70, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-4-(3-ethoxy-4-methoxyphenyl)pyrrolidin-2-one is sourced from PubChem (CID 53237458), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).