1-[2-(hydroxymethyl)pyrrolidin-1-yl]-3-phenylpropan-2-one

C14H19NO2 — CID 55038005

IUPAC1-[2-(hydroxymethyl)pyrrolidin-1-yl]-3-phenylpropan-2-one
SMILESO=C(Cc1ccccc1)CN1CCCC1CO
InChIInChI=1S/C14H19NO2/c16-11-13-7-4-8-15(13)10-14(17)9-12-5-2-1-3-6-12/h1-3,5-6,13,16H,4,7-11H2
InChIKeyFSIDWHSKSKDBRN-UHFFFAOYSA-N
MW233.31 g/mol
LogP1.25
Rot. Bonds5

About 1-[2-(hydroxymethyl)pyrrolidin-1-yl]-3-phenylpropan-2-one

1-[2-(hydroxymethyl)pyrrolidin-1-yl]-3-phenylpropan-2-one (PubChem CID 55038005) has the molecular formula C14H19NO2 and a molecular weight of 233.31 g/mol. Its IUPAC name is 1-[2-(hydroxymethyl)pyrrolidin-1-yl]-3-phenylpropan-2-one.

Molecular Properties

Compound Name1-[2-(hydroxymethyl)pyrrolidin-1-yl]-3-phenylpropan-2-one
PubChem CID55038005
Molecular FormulaC14H19NO2
Molecular Weight233.31 g/mol
Exact Mass233.14
IUPAC Name1-[2-(hydroxymethyl)pyrrolidin-1-yl]-3-phenylpropan-2-one
SMILESO=C(Cc1ccccc1)CN1CCCC1CO
InChIInChI=1S/C14H19NO2/c16-11-13-7-4-8-15(13)10-14(17)9-12-5-2-1-3-6-12/h1-3,5-6,13,16H,4,7-11H2
InChIKeyFSIDWHSKSKDBRN-UHFFFAOYSA-N
XLogP1.25
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.31
LogP ≤ 51.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-[(2R)-2-(hydroxymethyl)pyrrolidin-1-yl]acetyl]-2-phenylacetamide
CID 66260986
1-(2-ethylazepan-1-yl)-3-phenylpropan-2-one
CID 113441826
N-[2-[2-(hydroxymethyl)piperidin-1-yl]acetyl]-2-phenylacetamide
CID 60684561
N-benzyl-2-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]-N-methylacetamide
CID 78942574
1-(2-methylpiperidin-1-yl)-3-phenylpropan-2-one
CID 43794410
1-(4-benzylpiperazin-1-yl)-2-[(2R)-2-(hydroxymethyl)pyrrolidin-1-yl]ethanone
CID 110921480
[1-(2-phenylethyl)pyrrolidin-2-yl]methanol
CID 13404761
2-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]-N-methyl-N-phenylacetamide
CID 78942501
2-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]-1-(1-phenylcyclopentyl)ethanone
CID 130330385
N'-[2-[(2R)-2-(hydroxymethyl)pyrrolidin-1-yl]acetyl]benzohydrazide
CID 66262005
1-(2-oxo-3-phenylpropyl)-3,4,4a,6,7,7a-hexahydro-2H-pyrrolo[3,4-b]pyridin-5-one
CID 103196938
1-(4-fluorophenyl)-3-[2-(2-hydroxyethyl)piperidin-1-yl]propan-2-one
CID 62052910

Frequently Asked Questions

What is the IUPAC name of 1-[2-(hydroxymethyl)pyrrolidin-1-yl]-3-phenylpropan-2-one?
The IUPAC name of 1-[2-(hydroxymethyl)pyrrolidin-1-yl]-3-phenylpropan-2-one (CID 55038005) is 1-[2-(hydroxymethyl)pyrrolidin-1-yl]-3-phenylpropan-2-one.
What is the SMILES notation for 1-[2-(hydroxymethyl)pyrrolidin-1-yl]-3-phenylpropan-2-one?
The canonical SMILES for 1-[2-(hydroxymethyl)pyrrolidin-1-yl]-3-phenylpropan-2-one is O=C(Cc1ccccc1)CN1CCCC1CO.
What is the InChIKey of 1-[2-(hydroxymethyl)pyrrolidin-1-yl]-3-phenylpropan-2-one?
The InChIKey is FSIDWHSKSKDBRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NO2/c16-11-13-7-4-8-15(13)10-14(17)9-12-5-2-1-3-6-12/h1-3,5-6,13,16H,4,7-11H2.
What are the key properties of 1-[2-(hydroxymethyl)pyrrolidin-1-yl]-3-phenylpropan-2-one?
1-[2-(hydroxymethyl)pyrrolidin-1-yl]-3-phenylpropan-2-one has a molecular weight of 233.31 g/mol, XLogP of 1.25, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(hydroxymethyl)pyrrolidin-1-yl]-3-phenylpropan-2-one is sourced from PubChem (CID 55038005), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).