(5R)-5-propan-2-ylpyrrolidine-2,4-dione

C7H11NO2 — CID 58856322

IUPAC(5R)-5-propan-2-ylpyrrolidine-2,4-dione
SMILESCC(C)[C@H]1NC(=O)CC1=O
InChIInChI=1S/C7H11NO2/c1-4(2)7-5(9)3-6(10)8-7/h4,7H,3H2,1-2H3,(H,8,10)/t7-/m1/s1
InChIKeyPLFGCAPFRIWBQU-SSDOTTSWSA-N
MW141.17 g/mol
LogP0.10
Rot. Bonds1

About (5R)-5-propan-2-ylpyrrolidine-2,4-dione

(5R)-5-propan-2-ylpyrrolidine-2,4-dione (PubChem CID 58856322) has the molecular formula C7H11NO2 and a molecular weight of 141.17 g/mol. Its IUPAC name is (5R)-5-propan-2-ylpyrrolidine-2,4-dione.

Molecular Properties

Compound Name(5R)-5-propan-2-ylpyrrolidine-2,4-dione
PubChem CID58856322
Molecular FormulaC7H11NO2
Molecular Weight141.17 g/mol
Exact Mass141.08
IUPAC Name(5R)-5-propan-2-ylpyrrolidine-2,4-dione
SMILESCC(C)[C@H]1NC(=O)CC1=O
InChIInChI=1S/C7H11NO2/c1-4(2)7-5(9)3-6(10)8-7/h4,7H,3H2,1-2H3,(H,8,10)/t7-/m1/s1
InChIKeyPLFGCAPFRIWBQU-SSDOTTSWSA-N
XLogP0.10
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500141.17
LogP ≤ 50.10
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

(5S)-5-(propan-2-yl)pyrrolidin-2-one
CID 13082303
5-Methylpyrrolidine-2,4-dione
CID 19438038
3-Acetylpyrrolidine-2,4-dione
CID 5132792
5-(Propan-2-yl)pyrrolidin-2-one
CID 13082302
3-Amino-5-methyl-2-oxo-hexanoic acid (3-methyl-butyl)-amide
CID 15719282
(3R)-3-amino-5-methyl-N-(3-methylbutyl)-2-oxohexanamide
CID 15719283
2,4-Pyrrolidinedione, 3-acetyl-5-(1-methylpropyl)-
CID 104833
1-Methyl-5-(1-methylethyl)-2,4-pyrrolidinedione
CID 13197666
5-Ethyl-3-methylpyrrolidin-2-one
CID 20363361
5-(2-Methylpropanoyl)pyrrolidin-2-one
CID 20577844
5-Tert-butylpyrrolidine-2,4-dione
CID 20805022
(5R)-5-(propan-2-yl)pyrrolidin-2-one
CID 60054977

Frequently Asked Questions

What is the IUPAC name of (5R)-5-propan-2-ylpyrrolidine-2,4-dione?
The IUPAC name of (5R)-5-propan-2-ylpyrrolidine-2,4-dione (CID 58856322) is (5R)-5-propan-2-ylpyrrolidine-2,4-dione.
What is the SMILES notation for (5R)-5-propan-2-ylpyrrolidine-2,4-dione?
The canonical SMILES for (5R)-5-propan-2-ylpyrrolidine-2,4-dione is CC(C)[C@H]1NC(=O)CC1=O.
What is the InChIKey of (5R)-5-propan-2-ylpyrrolidine-2,4-dione?
The InChIKey is PLFGCAPFRIWBQU-SSDOTTSWSA-N. The full InChI is InChI=1S/C7H11NO2/c1-4(2)7-5(9)3-6(10)8-7/h4,7H,3H2,1-2H3,(H,8,10)/t7-/m1/s1.
What are the key properties of (5R)-5-propan-2-ylpyrrolidine-2,4-dione?
(5R)-5-propan-2-ylpyrrolidine-2,4-dione has a molecular weight of 141.17 g/mol, XLogP of 0.10, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (5R)-5-propan-2-ylpyrrolidine-2,4-dione is sourced from PubChem (CID 58856322), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).