[2-(hydroxymethyl)pyrrolidin-1-yl]-phenylmethanone

C12H15NO2 — CID 11435665

IUPAC[2-(hydroxymethyl)pyrrolidin-1-yl]-phenylmethanone
SMILESO=C(c1ccccc1)N1CCCC1CO
InChIInChI=1S/C12H15NO2/c14-9-11-7-4-8-13(11)12(15)10-5-2-1-3-6-10/h1-3,5-6,11,14H,4,7-9H2
InChIKeyBAVMVXYQHCAUQS-UHFFFAOYSA-N
MW205.26 g/mol
LogP1.28
Rot. Bonds2

About [2-(hydroxymethyl)pyrrolidin-1-yl]-phenylmethanone

[2-(hydroxymethyl)pyrrolidin-1-yl]-phenylmethanone (PubChem CID 11435665) has the molecular formula C12H15NO2 and a molecular weight of 205.26 g/mol. Its IUPAC name is [2-(hydroxymethyl)pyrrolidin-1-yl]-phenylmethanone.

Molecular Properties

Compound Name[2-(hydroxymethyl)pyrrolidin-1-yl]-phenylmethanone
PubChem CID11435665
Molecular FormulaC12H15NO2
Molecular Weight205.26 g/mol
Exact Mass205.11
IUPAC Name[2-(hydroxymethyl)pyrrolidin-1-yl]-phenylmethanone
SMILESO=C(c1ccccc1)N1CCCC1CO
InChIInChI=1S/C12H15NO2/c14-9-11-7-4-8-13(11)12(15)10-5-2-1-3-6-10/h1-3,5-6,11,14H,4,7-9H2
InChIKeyBAVMVXYQHCAUQS-UHFFFAOYSA-N
XLogP1.28
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.26
LogP ≤ 51.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze [2-(hydroxymethyl)pyrrolidin-1-yl]-phenylmethanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of [2-(hydroxymethyl)pyrrolidin-1-yl]-phenylmethanone?
The IUPAC name of [2-(hydroxymethyl)pyrrolidin-1-yl]-phenylmethanone (CID 11435665) is [2-(hydroxymethyl)pyrrolidin-1-yl]-phenylmethanone.
What is the SMILES notation for [2-(hydroxymethyl)pyrrolidin-1-yl]-phenylmethanone?
The canonical SMILES for [2-(hydroxymethyl)pyrrolidin-1-yl]-phenylmethanone is O=C(c1ccccc1)N1CCCC1CO.
What is the InChIKey of [2-(hydroxymethyl)pyrrolidin-1-yl]-phenylmethanone?
The InChIKey is BAVMVXYQHCAUQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15NO2/c14-9-11-7-4-8-13(11)12(15)10-5-2-1-3-6-10/h1-3,5-6,11,14H,4,7-9H2.
What are the key properties of [2-(hydroxymethyl)pyrrolidin-1-yl]-phenylmethanone?
[2-(hydroxymethyl)pyrrolidin-1-yl]-phenylmethanone has a molecular weight of 205.26 g/mol, XLogP of 1.28, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(hydroxymethyl)pyrrolidin-1-yl]-phenylmethanone is sourced from PubChem (CID 11435665), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).