4-(phenylmethoxymethyl)pyrrolidin-2-one

C12H15NO2 — CID 105457555

IUPAC4-(phenylmethoxymethyl)pyrrolidin-2-one
SMILESO=C1CC(COCc2ccccc2)CN1
InChIInChI=1S/C12H15NO2/c14-12-6-11(7-13-12)9-15-8-10-4-2-1-3-5-10/h1-5,11H,6-9H2,(H,13,14)
InChIKeyHRJIWBFXHFHTLE-UHFFFAOYSA-N
MW205.26 g/mol
LogP1.34
Rot. Bonds4

About 4-(phenylmethoxymethyl)pyrrolidin-2-one

4-(phenylmethoxymethyl)pyrrolidin-2-one (PubChem CID 105457555) has the molecular formula C12H15NO2 and a molecular weight of 205.26 g/mol. Its IUPAC name is 4-(phenylmethoxymethyl)pyrrolidin-2-one.

Molecular Properties

Compound Name4-(phenylmethoxymethyl)pyrrolidin-2-one
PubChem CID105457555
Molecular FormulaC12H15NO2
Molecular Weight205.26 g/mol
Exact Mass205.11
IUPAC Name4-(phenylmethoxymethyl)pyrrolidin-2-one
SMILESO=C1CC(COCc2ccccc2)CN1
InChIInChI=1S/C12H15NO2/c14-12-6-11(7-13-12)9-15-8-10-4-2-1-3-5-10/h1-5,11H,6-9H2,(H,13,14)
InChIKeyHRJIWBFXHFHTLE-UHFFFAOYSA-N
XLogP1.34
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.26
LogP ≤ 51.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 4-(phenylmethoxymethyl)pyrrolidin-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-(phenylmethoxymethyl)cyclobutan-1-one
CID 11819850
[4-(phenylmethoxymethyl)cyclohexyl]methoxymethylbenzene
CID 100982245
(2S)-2-(phenylmethoxymethyl)-1,4-oxazepan-5-one
CID 90354901
(3R)-3-(phenylmethoxymethyl)pyrrolidine
CID 26192483
(3R)-3-(phenylmethoxymethyl)piperazine-2,5-dione
CID 69212263
(2R)-2-(phenylmethoxymethyl)aziridine
CID 101263543
5-(phenylmethoxymethyl)cyclooctan-1-one
CID 10900938
(5-oxopyrrolidin-3-yl)methyl N-phenylcarbamate
CID 13195045
trans-(1R,2R)-4-(phenylmethoxymethyl)cyclopentane-1,2-diamine
CID 57481680
4-(phenylmethoxymethyl)cyclopentane-1,2-diol
CID 12717277
2-phenylmethoxy-5-(phenylmethoxymethyl)cyclohexan-1-one
CID 141134991
(4R,5R,6S)-4,5-bis(phenylmethoxy)-6-(phenylmethoxymethyl)piperidin-2-one
CID 102444690

Frequently Asked Questions

What is the IUPAC name of 4-(phenylmethoxymethyl)pyrrolidin-2-one?
The IUPAC name of 4-(phenylmethoxymethyl)pyrrolidin-2-one (CID 105457555) is 4-(phenylmethoxymethyl)pyrrolidin-2-one.
What is the SMILES notation for 4-(phenylmethoxymethyl)pyrrolidin-2-one?
The canonical SMILES for 4-(phenylmethoxymethyl)pyrrolidin-2-one is O=C1CC(COCc2ccccc2)CN1.
What is the InChIKey of 4-(phenylmethoxymethyl)pyrrolidin-2-one?
The InChIKey is HRJIWBFXHFHTLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15NO2/c14-12-6-11(7-13-12)9-15-8-10-4-2-1-3-5-10/h1-5,11H,6-9H2,(H,13,14).
What are the key properties of 4-(phenylmethoxymethyl)pyrrolidin-2-one?
4-(phenylmethoxymethyl)pyrrolidin-2-one has a molecular weight of 205.26 g/mol, XLogP of 1.34, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(phenylmethoxymethyl)pyrrolidin-2-one is sourced from PubChem (CID 105457555), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).