(2R)-2-(hydroxymethyl)-1-methylpyrrolidin-3-one

C6H11NO2 — CID 142983641

IUPAC(2R)-2-(hydroxymethyl)-1-methylpyrrolidin-3-one
SMILESCN1CCC(=O)[C@H]1CO
InChIInChI=1S/C6H11NO2/c1-7-3-2-6(9)5(7)4-8/h5,8H,2-4H2,1H3/t5-/m1/s1
InChIKeyRJESRBHJDAPRKB-RXMQYKEDSA-N
MW129.16 g/mol
LogP-0.75
Rot. Bonds1

About (2R)-2-(hydroxymethyl)-1-methylpyrrolidin-3-one

(2R)-2-(hydroxymethyl)-1-methylpyrrolidin-3-one (PubChem CID 142983641) has the molecular formula C6H11NO2 and a molecular weight of 129.16 g/mol. Its IUPAC name is (2R)-2-(hydroxymethyl)-1-methylpyrrolidin-3-one.

Molecular Properties

Compound Name(2R)-2-(hydroxymethyl)-1-methylpyrrolidin-3-one
PubChem CID142983641
Molecular FormulaC6H11NO2
Molecular Weight129.16 g/mol
Exact Mass129.08
IUPAC Name(2R)-2-(hydroxymethyl)-1-methylpyrrolidin-3-one
SMILESCN1CCC(=O)[C@H]1CO
InChIInChI=1S/C6H11NO2/c1-7-3-2-6(9)5(7)4-8/h5,8H,2-4H2,1H3/t5-/m1/s1
InChIKeyRJESRBHJDAPRKB-RXMQYKEDSA-N
XLogP-0.75
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500129.16
LogP ≤ 5-0.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze (2R)-2-(hydroxymethyl)-1-methylpyrrolidin-3-one 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 (2R)-2-(hydroxymethyl)-1-methylpyrrolidin-3-one?
The IUPAC name of (2R)-2-(hydroxymethyl)-1-methylpyrrolidin-3-one (CID 142983641) is (2R)-2-(hydroxymethyl)-1-methylpyrrolidin-3-one.
What is the SMILES notation for (2R)-2-(hydroxymethyl)-1-methylpyrrolidin-3-one?
The canonical SMILES for (2R)-2-(hydroxymethyl)-1-methylpyrrolidin-3-one is CN1CCC(=O)[C@H]1CO.
What is the InChIKey of (2R)-2-(hydroxymethyl)-1-methylpyrrolidin-3-one?
The InChIKey is RJESRBHJDAPRKB-RXMQYKEDSA-N. The full InChI is InChI=1S/C6H11NO2/c1-7-3-2-6(9)5(7)4-8/h5,8H,2-4H2,1H3/t5-/m1/s1.
What are the key properties of (2R)-2-(hydroxymethyl)-1-methylpyrrolidin-3-one?
(2R)-2-(hydroxymethyl)-1-methylpyrrolidin-3-one has a molecular weight of 129.16 g/mol, XLogP of -0.75, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-(hydroxymethyl)-1-methylpyrrolidin-3-one is sourced from PubChem (CID 142983641), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).