2-[(3R)-3-(hydroxymethyl)pyrrolidin-1-yl]-1-phenylethanone

C13H17NO2 — CID 129394491

IUPAC2-[(3R)-3-(hydroxymethyl)pyrrolidin-1-yl]-1-phenylethanone
SMILESO=C(CN1CC[C@@H](CO)C1)c1ccccc1
InChIInChI=1S/C13H17NO2/c15-10-11-6-7-14(8-11)9-13(16)12-4-2-1-3-5-12/h1-5,11,15H,6-10H2/t11-/m1/s1
InChIKeyKEVQQOWRDSBXPP-LLVKDONJSA-N
MW219.28 g/mol
LogP1.18
Rot. Bonds4

About 2-[(3R)-3-(hydroxymethyl)pyrrolidin-1-yl]-1-phenylethanone

2-[(3R)-3-(hydroxymethyl)pyrrolidin-1-yl]-1-phenylethanone (PubChem CID 129394491) has the molecular formula C13H17NO2 and a molecular weight of 219.28 g/mol. Its IUPAC name is 2-[(3R)-3-(hydroxymethyl)pyrrolidin-1-yl]-1-phenylethanone.

Molecular Properties

Compound Name2-[(3R)-3-(hydroxymethyl)pyrrolidin-1-yl]-1-phenylethanone
PubChem CID129394491
Molecular FormulaC13H17NO2
Molecular Weight219.28 g/mol
Exact Mass219.13
IUPAC Name2-[(3R)-3-(hydroxymethyl)pyrrolidin-1-yl]-1-phenylethanone
SMILESO=C(CN1CC[C@@H](CO)C1)c1ccccc1
InChIInChI=1S/C13H17NO2/c15-10-11-6-7-14(8-11)9-13(16)12-4-2-1-3-5-12/h1-5,11,15H,6-10H2/t11-/m1/s1
InChIKeyKEVQQOWRDSBXPP-LLVKDONJSA-N
XLogP1.18
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.28
LogP ≤ 51.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-[(3R)-3-(hydroxymethyl)pyrrolidin-1-yl]-1-phenylethanone 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-[3-(hydroxymethyl)pyrrolidin-1-yl]-1-phenylpropan-1-one
CID 112571405
1-(3-chlorophenyl)-2-[3-(hydroxymethyl)pyrrolidin-1-yl]ethanone
CID 112626373
2-[3-(dimethylamino)pyrrolidin-1-yl]-1-phenylethanone
CID 63165103
1-(3-chlorophenyl)-2-[3-(hydroxymethyl)piperidin-1-yl]ethanone
CID 62025148
1-(4-fluorophenyl)-2-[4-(hydroxymethyl)piperidin-1-yl]ethanone
CID 14677538
1-phenyl-2-(3-piperidin-1-ylpyrrolidin-1-yl)ethanone
CID 63170628
N-[(1-phenacylpiperidin-4-yl)methyl]acetamide
CID 102736676
2-[3-(2-fluorophenyl)pyrrolidin-1-yl]-1-phenylethanone
CID 140930148
1-(3-fluorophenyl)-2-[4-(hydroxymethyl)piperidin-1-yl]ethanone
CID 62024778
(1-benzylpyrrolidin-3-yl)methanol;hydrochloride
CID 75485238
2-[3-(aminomethyl)pyrrolidin-1-yl]-1-(4-iodophenyl)ethanone
CID 62063801
1-(2,5-dimethylphenyl)-2-[3-(hydroxymethyl)pyrrolidin-1-yl]ethanone
CID 112626432

Frequently Asked Questions

What is the IUPAC name of 2-[(3R)-3-(hydroxymethyl)pyrrolidin-1-yl]-1-phenylethanone?
The IUPAC name of 2-[(3R)-3-(hydroxymethyl)pyrrolidin-1-yl]-1-phenylethanone (CID 129394491) is 2-[(3R)-3-(hydroxymethyl)pyrrolidin-1-yl]-1-phenylethanone.
What is the SMILES notation for 2-[(3R)-3-(hydroxymethyl)pyrrolidin-1-yl]-1-phenylethanone?
The canonical SMILES for 2-[(3R)-3-(hydroxymethyl)pyrrolidin-1-yl]-1-phenylethanone is O=C(CN1CC[C@@H](CO)C1)c1ccccc1.
What is the InChIKey of 2-[(3R)-3-(hydroxymethyl)pyrrolidin-1-yl]-1-phenylethanone?
The InChIKey is KEVQQOWRDSBXPP-LLVKDONJSA-N. The full InChI is InChI=1S/C13H17NO2/c15-10-11-6-7-14(8-11)9-13(16)12-4-2-1-3-5-12/h1-5,11,15H,6-10H2/t11-/m1/s1.
What are the key properties of 2-[(3R)-3-(hydroxymethyl)pyrrolidin-1-yl]-1-phenylethanone?
2-[(3R)-3-(hydroxymethyl)pyrrolidin-1-yl]-1-phenylethanone has a molecular weight of 219.28 g/mol, XLogP of 1.18, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3R)-3-(hydroxymethyl)pyrrolidin-1-yl]-1-phenylethanone is sourced from PubChem (CID 129394491), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).