(3R,5R)-5-(hydroxymethyl)-3-methylpyrrolidin-2-one

C6H11NO2 — CID 15663716

IUPAC(3R,5R)-5-(hydroxymethyl)-3-methylpyrrolidin-2-one
SMILESC[C@@H]1C[C@H](CO)NC1=O
InChIInChI=1S/C6H11NO2/c1-4-2-5(3-8)7-6(4)9/h4-5,8H,2-3H2,1H3,(H,7,9)/t4-,5-/m1/s1
InChIKeyRGDBSLYLHPZEME-RFZPGFLSSA-N
MW129.16 g/mol
LogP-0.50
Rot. Bonds1

About (3R,5R)-5-(hydroxymethyl)-3-methylpyrrolidin-2-one

(3R,5R)-5-(hydroxymethyl)-3-methylpyrrolidin-2-one (PubChem CID 15663716) has the molecular formula C6H11NO2 and a molecular weight of 129.16 g/mol. Its IUPAC name is (3R,5R)-5-(hydroxymethyl)-3-methylpyrrolidin-2-one.

Molecular Properties

Compound Name(3R,5R)-5-(hydroxymethyl)-3-methylpyrrolidin-2-one
PubChem CID15663716
Molecular FormulaC6H11NO2
Molecular Weight129.16 g/mol
Exact Mass129.08
IUPAC Name(3R,5R)-5-(hydroxymethyl)-3-methylpyrrolidin-2-one
SMILESC[C@@H]1C[C@H](CO)NC1=O
InChIInChI=1S/C6H11NO2/c1-4-2-5(3-8)7-6(4)9/h4-5,8H,2-3H2,1H3,(H,7,9)/t4-,5-/m1/s1
InChIKeyRGDBSLYLHPZEME-RFZPGFLSSA-N
XLogP-0.50
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500129.16
LogP ≤ 5-0.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (3R,5R)-5-(hydroxymethyl)-3-methylpyrrolidin-2-one?
The IUPAC name of (3R,5R)-5-(hydroxymethyl)-3-methylpyrrolidin-2-one (CID 15663716) is (3R,5R)-5-(hydroxymethyl)-3-methylpyrrolidin-2-one.
What is the SMILES notation for (3R,5R)-5-(hydroxymethyl)-3-methylpyrrolidin-2-one?
The canonical SMILES for (3R,5R)-5-(hydroxymethyl)-3-methylpyrrolidin-2-one is C[C@@H]1C[C@H](CO)NC1=O.
What is the InChIKey of (3R,5R)-5-(hydroxymethyl)-3-methylpyrrolidin-2-one?
The InChIKey is RGDBSLYLHPZEME-RFZPGFLSSA-N. The full InChI is InChI=1S/C6H11NO2/c1-4-2-5(3-8)7-6(4)9/h4-5,8H,2-3H2,1H3,(H,7,9)/t4-,5-/m1/s1.
What are the key properties of (3R,5R)-5-(hydroxymethyl)-3-methylpyrrolidin-2-one?
(3R,5R)-5-(hydroxymethyl)-3-methylpyrrolidin-2-one has a molecular weight of 129.16 g/mol, XLogP of -0.50, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,5R)-5-(hydroxymethyl)-3-methylpyrrolidin-2-one is sourced from PubChem (CID 15663716), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).