[4-(hydroxymethyl)phenyl]-[(2R)-pyrrolidin-2-yl]methanone

C12H15NO2 — CID 57323043

IUPAC[4-(hydroxymethyl)phenyl]-[(2R)-pyrrolidin-2-yl]methanone
SMILESO=C(c1ccc(CO)cc1)[C@H]1CCCN1
InChIInChI=1S/C12H15NO2/c14-8-9-3-5-10(6-4-9)12(15)11-2-1-7-13-11/h3-6,11,13-14H,1-2,7-8H2/t11-/m1/s1
InChIKeyHUDISGPIHHQIKI-LLVKDONJSA-N
MW205.26 g/mol
LogP1.11
Rot. Bonds3

About [4-(hydroxymethyl)phenyl]-[(2R)-pyrrolidin-2-yl]methanone

[4-(hydroxymethyl)phenyl]-[(2R)-pyrrolidin-2-yl]methanone (PubChem CID 57323043) has the molecular formula C12H15NO2 and a molecular weight of 205.26 g/mol. Its IUPAC name is [4-(hydroxymethyl)phenyl]-[(2R)-pyrrolidin-2-yl]methanone.

Molecular Properties

Compound Name[4-(hydroxymethyl)phenyl]-[(2R)-pyrrolidin-2-yl]methanone
PubChem CID57323043
Molecular FormulaC12H15NO2
Molecular Weight205.26 g/mol
Exact Mass205.11
IUPAC Name[4-(hydroxymethyl)phenyl]-[(2R)-pyrrolidin-2-yl]methanone
SMILESO=C(c1ccc(CO)cc1)[C@H]1CCCN1
InChIInChI=1S/C12H15NO2/c14-8-9-3-5-10(6-4-9)12(15)11-2-1-7-13-11/h3-6,11,13-14H,1-2,7-8H2/t11-/m1/s1
InChIKeyHUDISGPIHHQIKI-LLVKDONJSA-N
XLogP1.11
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.26
LogP ≤ 51.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

[4-(2-methylpropyl)phenyl]-pyrrolidin-2-ylmethanone
CID 64868969
(4-bromophenyl)-[(2S)-pyrrolidin-2-yl]methanone
CID 42076627
(4-hexylphenyl)-piperidin-2-ylmethanone
CID 82341686
(4-phenylmethoxyphenyl)-pyrrolidin-2-ylmethanone
CID 82550160
phenyl(piperidin-2-yl)methanone
CID 19772085
(4-aminophenyl)-(azetidin-2-yl)methanone
CID 84655583
(3,4-dimethylphenyl)-[(2R)-pyrrolidin-2-yl]methanone
CID 42076609
phenyl-[(2S)-pyrrolidin-2-yl]methanone;2,2,2-trifluoroacetic acid
CID 21080202
azepan-2-yl-(4-tert-butylphenyl)methanone
CID 70558460
N-[4-(pyrrolidine-2-carbonyl)phenyl]methanesulfonamide
CID 64867866
(6-methylnaphthalen-2-yl)-pyrrolidin-2-ylmethanone
CID 116916835
(3,5-dimethylphenyl)-piperidin-2-ylmethanone
CID 82285234

Frequently Asked Questions

What is the IUPAC name of [4-(hydroxymethyl)phenyl]-[(2R)-pyrrolidin-2-yl]methanone?
The IUPAC name of [4-(hydroxymethyl)phenyl]-[(2R)-pyrrolidin-2-yl]methanone (CID 57323043) is [4-(hydroxymethyl)phenyl]-[(2R)-pyrrolidin-2-yl]methanone.
What is the SMILES notation for [4-(hydroxymethyl)phenyl]-[(2R)-pyrrolidin-2-yl]methanone?
The canonical SMILES for [4-(hydroxymethyl)phenyl]-[(2R)-pyrrolidin-2-yl]methanone is O=C(c1ccc(CO)cc1)[C@H]1CCCN1.
What is the InChIKey of [4-(hydroxymethyl)phenyl]-[(2R)-pyrrolidin-2-yl]methanone?
The InChIKey is HUDISGPIHHQIKI-LLVKDONJSA-N. The full InChI is InChI=1S/C12H15NO2/c14-8-9-3-5-10(6-4-9)12(15)11-2-1-7-13-11/h3-6,11,13-14H,1-2,7-8H2/t11-/m1/s1.
What are the key properties of [4-(hydroxymethyl)phenyl]-[(2R)-pyrrolidin-2-yl]methanone?
[4-(hydroxymethyl)phenyl]-[(2R)-pyrrolidin-2-yl]methanone has a molecular weight of 205.26 g/mol, XLogP of 1.11, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(hydroxymethyl)phenyl]-[(2R)-pyrrolidin-2-yl]methanone is sourced from PubChem (CID 57323043), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).