4-(4-methoxyphenyl)pyrrolidin-2-one

C11H13NO2 — CID 4656224

IUPAC4-(4-methoxyphenyl)pyrrolidin-2-one
SMILESCOc1ccc(C2CNC(=O)C2)cc1
InChIInChI=1S/C11H13NO2/c1-14-10-4-2-8(3-5-10)9-6-11(13)12-7-9/h2-5,9H,6-7H2,1H3,(H,12,13)
InChIKeyYDVYLFOSWUPISL-UHFFFAOYSA-N
MW191.23 g/mol
LogP1.30
Rot. Bonds2

About 4-(4-methoxyphenyl)pyrrolidin-2-one

4-(4-methoxyphenyl)pyrrolidin-2-one (PubChem CID 4656224) has the molecular formula C11H13NO2 and a molecular weight of 191.23 g/mol. Its IUPAC name is 4-(4-methoxyphenyl)pyrrolidin-2-one.

Molecular Properties

Compound Name4-(4-methoxyphenyl)pyrrolidin-2-one
PubChem CID4656224
Molecular FormulaC11H13NO2
Molecular Weight191.23 g/mol
Exact Mass191.09
IUPAC Name4-(4-methoxyphenyl)pyrrolidin-2-one
SMILESCOc1ccc(C2CNC(=O)C2)cc1
InChIInChI=1S/C11H13NO2/c1-14-10-4-2-8(3-5-10)9-6-11(13)12-7-9/h2-5,9H,6-7H2,1H3,(H,12,13)
InChIKeyYDVYLFOSWUPISL-UHFFFAOYSA-N
XLogP1.30
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.23
LogP ≤ 51.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

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(S)-Rolipram
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(-)-Rolipram
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N-benzyl-2-(4-methoxyphenyl)acetamide
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N-(2-(4-methoxyphenyl)ethyl)pentanamide
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Bomppa
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N-(3-(3-methoxyphenyl)propyl)propionamide
CID 10104923
N-(4-methoxybenzyl)oleamide
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(S)-N-[2-(2,3-Dihydro-6-methoxy-1H-inden-1-YL)ethyl]propanamide
CID 9816335

Frequently Asked Questions

What is the IUPAC name of 4-(4-methoxyphenyl)pyrrolidin-2-one?
The IUPAC name of 4-(4-methoxyphenyl)pyrrolidin-2-one (CID 4656224) is 4-(4-methoxyphenyl)pyrrolidin-2-one.
What is the SMILES notation for 4-(4-methoxyphenyl)pyrrolidin-2-one?
The canonical SMILES for 4-(4-methoxyphenyl)pyrrolidin-2-one is COc1ccc(C2CNC(=O)C2)cc1.
What is the InChIKey of 4-(4-methoxyphenyl)pyrrolidin-2-one?
The InChIKey is YDVYLFOSWUPISL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13NO2/c1-14-10-4-2-8(3-5-10)9-6-11(13)12-7-9/h2-5,9H,6-7H2,1H3,(H,12,13).
What are the key properties of 4-(4-methoxyphenyl)pyrrolidin-2-one?
4-(4-methoxyphenyl)pyrrolidin-2-one has a molecular weight of 191.23 g/mol, XLogP of 1.30, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-methoxyphenyl)pyrrolidin-2-one is sourced from PubChem (CID 4656224), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).