(5R)-5-methylpyrazolidin-3-one

C4H8N2O — CID 40561585

IUPAC(5R)-5-methylpyrazolidin-3-one
SMILESC[C@@H]1CC(=O)NN1
InChIInChI=1S/C4H8N2O/c1-3-2-4(7)6-5-3/h3,5H,2H2,1H3,(H,6,7)/t3-/m1/s1
InChIKeyWYVJDRGXWOXCCH-GSVOUGTGSA-N
MW100.12 g/mol
LogP-0.60
Rot. Bonds

About (5R)-5-methylpyrazolidin-3-one

(5R)-5-methylpyrazolidin-3-one (PubChem CID 40561585) has the molecular formula C4H8N2O and a molecular weight of 100.12 g/mol. Its IUPAC name is (5R)-5-methylpyrazolidin-3-one.

Molecular Properties

Compound Name(5R)-5-methylpyrazolidin-3-one
PubChem CID40561585
Molecular FormulaC4H8N2O
Molecular Weight100.12 g/mol
Exact Mass100.06
IUPAC Name(5R)-5-methylpyrazolidin-3-one
SMILESC[C@@H]1CC(=O)NN1
InChIInChI=1S/C4H8N2O/c1-3-2-4(7)6-5-3/h3,5H,2H2,1H3,(H,6,7)/t3-/m1/s1
InChIKeyWYVJDRGXWOXCCH-GSVOUGTGSA-N
XLogP-0.60
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500100.12
LogP ≤ 5-0.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze (5R)-5-methylpyrazolidin-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 (5R)-5-methylpyrazolidin-3-one?
The IUPAC name of (5R)-5-methylpyrazolidin-3-one (CID 40561585) is (5R)-5-methylpyrazolidin-3-one.
What is the SMILES notation for (5R)-5-methylpyrazolidin-3-one?
The canonical SMILES for (5R)-5-methylpyrazolidin-3-one is C[C@@H]1CC(=O)NN1.
What is the InChIKey of (5R)-5-methylpyrazolidin-3-one?
The InChIKey is WYVJDRGXWOXCCH-GSVOUGTGSA-N. The full InChI is InChI=1S/C4H8N2O/c1-3-2-4(7)6-5-3/h3,5H,2H2,1H3,(H,6,7)/t3-/m1/s1.
What are the key properties of (5R)-5-methylpyrazolidin-3-one?
(5R)-5-methylpyrazolidin-3-one has a molecular weight of 100.12 g/mol, XLogP of -0.60, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (5R)-5-methylpyrazolidin-3-one is sourced from PubChem (CID 40561585), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).