4-[(2-ethylphenoxy)methyl]-1-methylpyrrolidin-2-one

C14H19NO2 — CID 13362254

IUPAC4-[(2-ethylphenoxy)methyl]-1-methylpyrrolidin-2-one
SMILESCCc1ccccc1OCC1CC(=O)N(C)C1
InChIInChI=1S/C14H19NO2/c1-3-12-6-4-5-7-13(12)17-10-11-8-14(16)15(2)9-11/h4-7,11H,3,8-10H2,1-2H3
InChIKeyGTFPTPBISCKLGC-UHFFFAOYSA-N
MW233.31 g/mol
LogP2.11
Rot. Bonds4

About 4-[(2-ethylphenoxy)methyl]-1-methylpyrrolidin-2-one

4-[(2-ethylphenoxy)methyl]-1-methylpyrrolidin-2-one (PubChem CID 13362254) has the molecular formula C14H19NO2 and a molecular weight of 233.31 g/mol. Its IUPAC name is 4-[(2-ethylphenoxy)methyl]-1-methylpyrrolidin-2-one.

Molecular Properties

Compound Name4-[(2-ethylphenoxy)methyl]-1-methylpyrrolidin-2-one
PubChem CID13362254
Molecular FormulaC14H19NO2
Molecular Weight233.31 g/mol
Exact Mass233.14
IUPAC Name4-[(2-ethylphenoxy)methyl]-1-methylpyrrolidin-2-one
SMILESCCc1ccccc1OCC1CC(=O)N(C)C1
InChIInChI=1S/C14H19NO2/c1-3-12-6-4-5-7-13(12)17-10-11-8-14(16)15(2)9-11/h4-7,11H,3,8-10H2,1-2H3
InChIKeyGTFPTPBISCKLGC-UHFFFAOYSA-N
XLogP2.11
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.31
LogP ≤ 52.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-[2-[[methyl-[[(3R)-1-methyl-5-oxopyrrolidin-3-yl]methyl]amino]methyl]phenoxy]acetic acid
CID 99939363
2-[2-[[methyl-[[(3S)-1-methyl-5-oxopyrrolidin-3-yl]methyl]amino]methyl]phenoxy]acetic acid
CID 99939361
4-[(3-chloro-2-pyridinyl)oxymethyl]-1-methylpyrrolidin-2-one
CID 126955026
1-[(4,4-difluorocyclohexyl)methoxy]-2-ethylbenzene
CID 166839557
[2-[(1-methylazetidin-3-yl)methoxy]phenyl]methanamine
CID 84674537
1-[(2-ethoxyphenyl)methyl]-4-sulfanylpyrrolidin-2-one
CID 168708283
4-chloro-1-[(2-ethoxyphenyl)methyl]pyrrolidin-2-one
CID 168687525
1-[(2-ethoxyphenyl)methyl]-4-ethynylpyrrolidin-2-one
CID 168500560
methyl 3-[2-(2-fluorophenyl)acetyl]-9-[(1-methyl-5-oxopyrrolidin-3-yl)methoxy]-7-oxo-1,2,4,5-tetrahydropyrido[1,2-d][1,4]diazepine-10-carboxylate
CID 45250042
1-[3-(2-ethylphenoxy)propyl]-3,5-dimethylpiperidine
CID 2934051
1-(2-chloroethoxy)-2-ethylbenzene
CID 43173826
N-[(1-methyl-5-oxopyrrolidin-3-yl)methyl]-2-phenylacetamide
CID 110737035

Frequently Asked Questions

What is the IUPAC name of 4-[(2-ethylphenoxy)methyl]-1-methylpyrrolidin-2-one?
The IUPAC name of 4-[(2-ethylphenoxy)methyl]-1-methylpyrrolidin-2-one (CID 13362254) is 4-[(2-ethylphenoxy)methyl]-1-methylpyrrolidin-2-one.
What is the SMILES notation for 4-[(2-ethylphenoxy)methyl]-1-methylpyrrolidin-2-one?
The canonical SMILES for 4-[(2-ethylphenoxy)methyl]-1-methylpyrrolidin-2-one is CCc1ccccc1OCC1CC(=O)N(C)C1.
What is the InChIKey of 4-[(2-ethylphenoxy)methyl]-1-methylpyrrolidin-2-one?
The InChIKey is GTFPTPBISCKLGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NO2/c1-3-12-6-4-5-7-13(12)17-10-11-8-14(16)15(2)9-11/h4-7,11H,3,8-10H2,1-2H3.
What are the key properties of 4-[(2-ethylphenoxy)methyl]-1-methylpyrrolidin-2-one?
4-[(2-ethylphenoxy)methyl]-1-methylpyrrolidin-2-one has a molecular weight of 233.31 g/mol, XLogP of 2.11, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2-ethylphenoxy)methyl]-1-methylpyrrolidin-2-one is sourced from PubChem (CID 13362254), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).