2-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]-1-(1-phenylcyclopentyl)ethanone

C18H25NO2 — CID 130330385

IUPAC2-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]-1-(1-phenylcyclopentyl)ethanone
SMILESO=C(CN1CCC[C@H]1CO)C1(c2ccccc2)CCCC1
InChIInChI=1S/C18H25NO2/c20-14-16-9-6-12-19(16)13-17(21)18(10-4-5-11-18)15-7-2-1-3-8-15/h1-3,7-8,16,20H,4-6,9-14H2/t16-/m0/s1
InChIKeyRWJLEPGSRURDKK-INIZCTEOSA-N
MW287.40 g/mol
LogP2.52
Rot. Bonds5

About 2-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]-1-(1-phenylcyclopentyl)ethanone

2-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]-1-(1-phenylcyclopentyl)ethanone (PubChem CID 130330385) has the molecular formula C18H25NO2 and a molecular weight of 287.40 g/mol. Its IUPAC name is 2-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]-1-(1-phenylcyclopentyl)ethanone.

Molecular Properties

Compound Name2-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]-1-(1-phenylcyclopentyl)ethanone
PubChem CID130330385
Molecular FormulaC18H25NO2
Molecular Weight287.40 g/mol
Exact Mass287.19
IUPAC Name2-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]-1-(1-phenylcyclopentyl)ethanone
SMILESO=C(CN1CCC[C@H]1CO)C1(c2ccccc2)CCCC1
InChIInChI=1S/C18H25NO2/c20-14-16-9-6-12-19(16)13-17(21)18(10-4-5-11-18)15-7-2-1-3-8-15/h1-3,7-8,16,20H,4-6,9-14H2/t16-/m0/s1
InChIKeyRWJLEPGSRURDKK-INIZCTEOSA-N
XLogP2.52
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.40
LogP ≤ 52.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[2-(hydroxymethyl)piperidin-1-yl]-(1-phenylcyclobutyl)methanone
CID 43421113
1-[2-(hydroxymethyl)pyrrolidin-1-yl]-3-phenylpropan-2-one
CID 55038005
2-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]-N-methyl-N-phenylacetamide
CID 78942501
N-[2-[(2R)-2-(hydroxymethyl)pyrrolidin-1-yl]acetyl]-2-phenylacetamide
CID 66260986
N'-[2-[(2R)-2-(hydroxymethyl)pyrrolidin-1-yl]acetyl]benzohydrazide
CID 66262005
(2R)-N-benzoyl-1-[2-[1-(4-chlorophenyl)cyclohexyl]-2-oxoethyl]pyrrolidine-2-carboxamide
CID 67619747
N-benzyl-2-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]-N-methylacetamide
CID 78942574
2-[2-(hydroxymethyl)piperidin-1-yl]-N-methyl-N-phenylacetamide
CID 60684693
1-(4-benzylpiperazin-1-yl)-2-[(2R)-2-(hydroxymethyl)pyrrolidin-1-yl]ethanone
CID 110921480
1-(3,4-dihydro-2H-quinolin-1-yl)-2-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]ethanone
CID 78942384
[2-(bromomethyl)pyrrolidin-1-yl]-(1-phenylcyclopropyl)methanone
CID 80678065
N-(4-benzoylphenyl)-2-[2-(hydroxymethyl)pyrrolidin-1-yl]acetamide
CID 22447957

Frequently Asked Questions

What is the IUPAC name of 2-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]-1-(1-phenylcyclopentyl)ethanone?
The IUPAC name of 2-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]-1-(1-phenylcyclopentyl)ethanone (CID 130330385) is 2-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]-1-(1-phenylcyclopentyl)ethanone.
What is the SMILES notation for 2-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]-1-(1-phenylcyclopentyl)ethanone?
The canonical SMILES for 2-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]-1-(1-phenylcyclopentyl)ethanone is O=C(CN1CCC[C@H]1CO)C1(c2ccccc2)CCCC1.
What is the InChIKey of 2-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]-1-(1-phenylcyclopentyl)ethanone?
The InChIKey is RWJLEPGSRURDKK-INIZCTEOSA-N. The full InChI is InChI=1S/C18H25NO2/c20-14-16-9-6-12-19(16)13-17(21)18(10-4-5-11-18)15-7-2-1-3-8-15/h1-3,7-8,16,20H,4-6,9-14H2/t16-/m0/s1.
What are the key properties of 2-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]-1-(1-phenylcyclopentyl)ethanone?
2-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]-1-(1-phenylcyclopentyl)ethanone has a molecular weight of 287.40 g/mol, XLogP of 2.52, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]-1-(1-phenylcyclopentyl)ethanone is sourced from PubChem (CID 130330385), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).