5-[(2-ethoxyphenyl)methyl]pyrrolidin-2-one

C13H17NO2 — CID 104687160

IUPAC5-[(2-ethoxyphenyl)methyl]pyrrolidin-2-one
SMILESCCOc1ccccc1CC1CCC(=O)N1
InChIInChI=1S/C13H17NO2/c1-2-16-12-6-4-3-5-10(12)9-11-7-8-13(15)14-11/h3-6,11H,2,7-9H2,1H3,(H,14,15)
InChIKeyCYHAFOSZVVXOPW-UHFFFAOYSA-N
MW219.28 g/mol
LogP1.91
Rot. Bonds4

About 5-[(2-ethoxyphenyl)methyl]pyrrolidin-2-one

5-[(2-ethoxyphenyl)methyl]pyrrolidin-2-one (PubChem CID 104687160) has the molecular formula C13H17NO2 and a molecular weight of 219.28 g/mol. Its IUPAC name is 5-[(2-ethoxyphenyl)methyl]pyrrolidin-2-one.

Molecular Properties

Compound Name5-[(2-ethoxyphenyl)methyl]pyrrolidin-2-one
PubChem CID104687160
Molecular FormulaC13H17NO2
Molecular Weight219.28 g/mol
Exact Mass219.13
IUPAC Name5-[(2-ethoxyphenyl)methyl]pyrrolidin-2-one
SMILESCCOc1ccccc1CC1CCC(=O)N1
InChIInChI=1S/C13H17NO2/c1-2-16-12-6-4-3-5-10(12)9-11-7-8-13(15)14-11/h3-6,11H,2,7-9H2,1H3,(H,14,15)
InChIKeyCYHAFOSZVVXOPW-UHFFFAOYSA-N
XLogP1.91
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.28
LogP ≤ 51.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(3S)-3-[(2-ethoxyphenyl)methyl]piperazine-2,5-dione
CID 131856030
5-[(3-ethoxyanilino)methyl]pyrrolidin-2-one
CID 107529293
3-[(2-ethoxyphenyl)methyl]-7-methyl-1,3-dihydroindol-2-one
CID 43912357
5-[(2-methylquinolin-4-yl)methyl]pyrrolidin-2-one
CID 113441333
1-[(2-ethoxyphenyl)methyl]-4-sulfanylpyrrolidin-2-one
CID 168708283
4-chloro-1-[(2-ethoxyphenyl)methyl]pyrrolidin-2-one
CID 168687525
5-[(2,5-difluorophenyl)methyl]pyrrolidin-2-one
CID 104687085
2-[(2-propoxyphenyl)methyl]piperidine
CID 104662380
5-[(2-ethoxyphenyl)methyl]-5-propan-2-ylpyrrolidin-2-one
CID 104687917
4-[(2-ethoxyphenyl)methyl]-1,4-diazabicyclo[3.2.1]octane
CID 154772261
1-[(2-ethoxyphenyl)methyl]-4-ethynylpyrrolidin-2-one
CID 168500560
formic acid;(5S)-5-[(4-phenylphenyl)methyl]pyrrolidin-2-one;propane
CID 143719686

Frequently Asked Questions

What is the IUPAC name of 5-[(2-ethoxyphenyl)methyl]pyrrolidin-2-one?
The IUPAC name of 5-[(2-ethoxyphenyl)methyl]pyrrolidin-2-one (CID 104687160) is 5-[(2-ethoxyphenyl)methyl]pyrrolidin-2-one.
What is the SMILES notation for 5-[(2-ethoxyphenyl)methyl]pyrrolidin-2-one?
The canonical SMILES for 5-[(2-ethoxyphenyl)methyl]pyrrolidin-2-one is CCOc1ccccc1CC1CCC(=O)N1.
What is the InChIKey of 5-[(2-ethoxyphenyl)methyl]pyrrolidin-2-one?
The InChIKey is CYHAFOSZVVXOPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17NO2/c1-2-16-12-6-4-3-5-10(12)9-11-7-8-13(15)14-11/h3-6,11H,2,7-9H2,1H3,(H,14,15).
What are the key properties of 5-[(2-ethoxyphenyl)methyl]pyrrolidin-2-one?
5-[(2-ethoxyphenyl)methyl]pyrrolidin-2-one has a molecular weight of 219.28 g/mol, XLogP of 1.91, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(2-ethoxyphenyl)methyl]pyrrolidin-2-one is sourced from PubChem (CID 104687160), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).