(5R)-5-methylpyrrolidine-2,4-dione

C5H7NO2 — CID 98474157

IUPAC(5R)-5-methylpyrrolidine-2,4-dione
SMILESC[C@H]1NC(=O)CC1=O
InChIInChI=1S/C5H7NO2/c1-3-4(7)2-5(8)6-3/h3H,2H2,1H3,(H,6,8)/t3-/m1/s1
InChIKeyVKKNQZBZGSFRCA-GSVOUGTGSA-N
MW113.12 g/mol
LogP-0.54
Rot. Bonds

About (5R)-5-methylpyrrolidine-2,4-dione

(5R)-5-methylpyrrolidine-2,4-dione (PubChem CID 98474157) has the molecular formula C5H7NO2 and a molecular weight of 113.12 g/mol. Its IUPAC name is (5R)-5-methylpyrrolidine-2,4-dione.

Molecular Properties

Compound Name(5R)-5-methylpyrrolidine-2,4-dione
PubChem CID98474157
Molecular FormulaC5H7NO2
Molecular Weight113.12 g/mol
Exact Mass113.05
IUPAC Name(5R)-5-methylpyrrolidine-2,4-dione
SMILESC[C@H]1NC(=O)CC1=O
InChIInChI=1S/C5H7NO2/c1-3-4(7)2-5(8)6-3/h3H,2H2,1H3,(H,6,8)/t3-/m1/s1
InChIKeyVKKNQZBZGSFRCA-GSVOUGTGSA-N
XLogP-0.54
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500113.12
LogP ≤ 5-0.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Related Compounds

5-methyl-4-sulfanylidenepyrrolidin-2-one
CID 137473212
(8S,12S,16S)-4,8,12,16-tetramethyl-1,5,9,13-tetrazacyclohexadecane-2,6,10,14-tetrone
CID 177427940
2,6-dimethylpiperidin-3-one
CID 22623666
(3S,6S,9R,12S,15S)-3,6,9,12,15-pentamethyl-1,4,7,10,13-pentazacyclopentadecane-2,5,8,11,14-pentone
CID 102149559
(2S)-8-tert-butyl-2-methyl-2,4-dihydro-1H-quinolin-3-one
CID 158324948
(5S)-5-benzoylpyrrolidine-2,4-dione
CID 98552249
(3S)-3-methyl-1-propan-2-ylpiperazine-2,5-dione
CID 164760236
(5S)-5-methylpyrrolidin-2-one
CID 7458701
(3S)-1-tert-butyl-3-methylpiperazine-2,5-dione
CID 170050689
(3,5-dioxopyrrolidin-2-yl)urea
CID 58143027
(7S)-4-methoxy-7-methylazepane-2,5,6-trione
CID 57123881
methane;methylcyclohexane;2-methyl-1,4-dioxane;2-methyloxane;pentakis(1-methylpiperidine);1-methylpyrrolidine;5-methylpyrrolidine-2,4-dione;3-methyl-1,3-thiazolidine-2,4-dione
CID 159396415

Frequently Asked Questions

What is the IUPAC name of (5R)-5-methylpyrrolidine-2,4-dione?
The IUPAC name of (5R)-5-methylpyrrolidine-2,4-dione (CID 98474157) is (5R)-5-methylpyrrolidine-2,4-dione.
What is the SMILES notation for (5R)-5-methylpyrrolidine-2,4-dione?
The canonical SMILES for (5R)-5-methylpyrrolidine-2,4-dione is C[C@H]1NC(=O)CC1=O.
What is the InChIKey of (5R)-5-methylpyrrolidine-2,4-dione?
The InChIKey is VKKNQZBZGSFRCA-GSVOUGTGSA-N. The full InChI is InChI=1S/C5H7NO2/c1-3-4(7)2-5(8)6-3/h3H,2H2,1H3,(H,6,8)/t3-/m1/s1.
What are the key properties of (5R)-5-methylpyrrolidine-2,4-dione?
(5R)-5-methylpyrrolidine-2,4-dione has a molecular weight of 113.12 g/mol, XLogP of -0.54, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (5R)-5-methylpyrrolidine-2,4-dione is sourced from PubChem (CID 98474157), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).