5-[(4-ethoxyphenyl)methyl]-5-methylpyrrolidin-2-one

C14H19NO2 — CID 104687288

IUPAC5-[(4-ethoxyphenyl)methyl]-5-methylpyrrolidin-2-one
SMILESCCOc1ccc(CC2(C)CCC(=O)N2)cc1
InChIInChI=1S/C14H19NO2/c1-3-17-12-6-4-11(5-7-12)10-14(2)9-8-13(16)15-14/h4-7H,3,8-10H2,1-2H3,(H,15,16)
InChIKeyBIRNNVSFCZYFGW-UHFFFAOYSA-N
MW233.31 g/mol
LogP2.30
Rot. Bonds4

About 5-[(4-ethoxyphenyl)methyl]-5-methylpyrrolidin-2-one

5-[(4-ethoxyphenyl)methyl]-5-methylpyrrolidin-2-one (PubChem CID 104687288) has the molecular formula C14H19NO2 and a molecular weight of 233.31 g/mol. Its IUPAC name is 5-[(4-ethoxyphenyl)methyl]-5-methylpyrrolidin-2-one.

Molecular Properties

Compound Name5-[(4-ethoxyphenyl)methyl]-5-methylpyrrolidin-2-one
PubChem CID104687288
Molecular FormulaC14H19NO2
Molecular Weight233.31 g/mol
Exact Mass233.14
IUPAC Name5-[(4-ethoxyphenyl)methyl]-5-methylpyrrolidin-2-one
SMILESCCOc1ccc(CC2(C)CCC(=O)N2)cc1
InChIInChI=1S/C14H19NO2/c1-3-17-12-6-4-11(5-7-12)10-14(2)9-8-13(16)15-14/h4-7H,3,8-10H2,1-2H3,(H,15,16)
InChIKeyBIRNNVSFCZYFGW-UHFFFAOYSA-N
XLogP2.30
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.31
LogP ≤ 52.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

5-[[4-(difluoromethyl)phenyl]methyl]-5-methylpyrrolidin-2-one
CID 113441337
5-propan-2-yl-5-[(4-propoxyphenyl)methyl]pyrrolidin-2-one
CID 104687812
5-[(1-ethylpyrrol-3-yl)methyl]-5-methylpyrrolidin-2-one
CID 104687361
5-[(5-ethylthiophen-2-yl)methyl]-5-methylpyrrolidin-2-one
CID 104687215
5-ethyl-5-[(4-pentoxyphenyl)methyl]pyrrolidin-2-one
CID 104687527
5-(1,3-benzodioxol-5-ylmethyl)-5-methylpyrrolidin-2-one
CID 104687362
[1-[(4-ethoxyphenyl)methyl]cyclopropyl]methanol
CID 116928851
1-(4-ethoxyphenyl)-3,3-dimethyl-1,4-diazepane-2,5-dione
CID 64956406
5-[(3-chloro-5-fluorophenyl)methyl]-5-methylpyrrolidin-2-one
CID 114455223
3-[(4-ethoxyphenyl)methyl]pyrrolidin-3-ol
CID 83691018
(2S)-2-[(4-ethoxyphenyl)methyl]piperidine-2-carboxylic acid
CID 25030154
5-[[4-(methoxymethyl)phenyl]methyl]-5-propan-2-ylpyrrolidin-2-one
CID 104687889

Frequently Asked Questions

What is the IUPAC name of 5-[(4-ethoxyphenyl)methyl]-5-methylpyrrolidin-2-one?
The IUPAC name of 5-[(4-ethoxyphenyl)methyl]-5-methylpyrrolidin-2-one (CID 104687288) is 5-[(4-ethoxyphenyl)methyl]-5-methylpyrrolidin-2-one.
What is the SMILES notation for 5-[(4-ethoxyphenyl)methyl]-5-methylpyrrolidin-2-one?
The canonical SMILES for 5-[(4-ethoxyphenyl)methyl]-5-methylpyrrolidin-2-one is CCOc1ccc(CC2(C)CCC(=O)N2)cc1.
What is the InChIKey of 5-[(4-ethoxyphenyl)methyl]-5-methylpyrrolidin-2-one?
The InChIKey is BIRNNVSFCZYFGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NO2/c1-3-17-12-6-4-11(5-7-12)10-14(2)9-8-13(16)15-14/h4-7H,3,8-10H2,1-2H3,(H,15,16).
What are the key properties of 5-[(4-ethoxyphenyl)methyl]-5-methylpyrrolidin-2-one?
5-[(4-ethoxyphenyl)methyl]-5-methylpyrrolidin-2-one has a molecular weight of 233.31 g/mol, XLogP of 2.30, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(4-ethoxyphenyl)methyl]-5-methylpyrrolidin-2-one is sourced from PubChem (CID 104687288), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).