1-[2-(phenoxymethyl)pyrrolidin-1-yl]propan-1-one

C14H19NO2 — CID 142036385

IUPAC1-[2-(phenoxymethyl)pyrrolidin-1-yl]propan-1-one
SMILESCCC(=O)N1CCCC1COc1ccccc1
InChIInChI=1S/C14H19NO2/c1-2-14(16)15-10-6-7-12(15)11-17-13-8-4-3-5-9-13/h3-5,8-9,12H,2,6-7,10-11H2,1H3
InChIKeyQAOXYXFQQQDPBJ-UHFFFAOYSA-N
MW233.31 g/mol
LogP2.47
Rot. Bonds4

About 1-[2-(phenoxymethyl)pyrrolidin-1-yl]propan-1-one

1-[2-(phenoxymethyl)pyrrolidin-1-yl]propan-1-one (PubChem CID 142036385) has the molecular formula C14H19NO2 and a molecular weight of 233.31 g/mol. Its IUPAC name is 1-[2-(phenoxymethyl)pyrrolidin-1-yl]propan-1-one.

Molecular Properties

Compound Name1-[2-(phenoxymethyl)pyrrolidin-1-yl]propan-1-one
PubChem CID142036385
Molecular FormulaC14H19NO2
Molecular Weight233.31 g/mol
Exact Mass233.14
IUPAC Name1-[2-(phenoxymethyl)pyrrolidin-1-yl]propan-1-one
SMILESCCC(=O)N1CCCC1COc1ccccc1
InChIInChI=1S/C14H19NO2/c1-2-14(16)15-10-6-7-12(15)11-17-13-8-4-3-5-9-13/h3-5,8-9,12H,2,6-7,10-11H2,1H3
InChIKeyQAOXYXFQQQDPBJ-UHFFFAOYSA-N
XLogP2.47
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 ≤ 52.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

4-[(1-propanoylpyrrolidin-2-yl)methoxy]-N-propan-2-ylbenzamide
CID 50846264
N-cyclopropyl-4-[(1-propanoylpyrrolidin-2-yl)methoxy]benzamide
CID 50846453
3-amino-3-cyclopropyl-1-[2-(phenoxymethyl)pyrrolidin-1-yl]propan-1-one
CID 86788189
tert-butyl 2-[(4-phenoxyphenoxy)methyl]pyrrolidine-1-carboxylate
CID 69003420
[(2R)-oxolan-2-yl]-[(2S)-2-(phenoxymethyl)pyrrolidin-1-yl]methanone
CID 96534714
1-[(2S)-2-(diphenylphosphanylmethyl)pyrrolidin-1-yl]propan-1-one
CID 15534450
1-(2-ethylpiperidin-1-yl)-4-phenoxybutan-1-one
CID 2914939
1-[2-(methylaminomethyl)pyrrolidin-1-yl]-2-phenoxyethanone
CID 81483948
1-[(2R)-2-(methylaminomethyl)pyrrolidin-1-yl]-2-phenoxyethanone
CID 124569777
3-acetamido-4-[[(2S)-1-propanoylpyrrolidin-2-yl]methoxy]benzoic acid
CID 71207242
tert-butyl (2S)-2-[(4-phenylmethoxyphenoxy)methyl]pyrrolidine-1-carboxylate
CID 68999596
tert-butyl 2-[[4-(4-phenylphenoxy)phenoxy]methyl]pyrrolidine-1-carboxylate
CID 69001108

Frequently Asked Questions

What is the IUPAC name of 1-[2-(phenoxymethyl)pyrrolidin-1-yl]propan-1-one?
The IUPAC name of 1-[2-(phenoxymethyl)pyrrolidin-1-yl]propan-1-one (CID 142036385) is 1-[2-(phenoxymethyl)pyrrolidin-1-yl]propan-1-one.
What is the SMILES notation for 1-[2-(phenoxymethyl)pyrrolidin-1-yl]propan-1-one?
The canonical SMILES for 1-[2-(phenoxymethyl)pyrrolidin-1-yl]propan-1-one is CCC(=O)N1CCCC1COc1ccccc1.
What is the InChIKey of 1-[2-(phenoxymethyl)pyrrolidin-1-yl]propan-1-one?
The InChIKey is QAOXYXFQQQDPBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NO2/c1-2-14(16)15-10-6-7-12(15)11-17-13-8-4-3-5-9-13/h3-5,8-9,12H,2,6-7,10-11H2,1H3.
What are the key properties of 1-[2-(phenoxymethyl)pyrrolidin-1-yl]propan-1-one?
1-[2-(phenoxymethyl)pyrrolidin-1-yl]propan-1-one has a molecular weight of 233.31 g/mol, XLogP of 2.47, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(phenoxymethyl)pyrrolidin-1-yl]propan-1-one is sourced from PubChem (CID 142036385), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).