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

C7H11NO2 — CID 15598396

IUPAC(5S)-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-/m0/s1
InChIKeyPLFGCAPFRIWBQU-ZETCQYMHSA-N
MW141.17 g/mol
LogP0.10
Rot. Bonds1

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

(5S)-5-propan-2-ylpyrrolidine-2,4-dione (PubChem CID 15598396) has the molecular formula C7H11NO2 and a molecular weight of 141.17 g/mol. Its IUPAC name is (5S)-5-propan-2-ylpyrrolidine-2,4-dione.

Molecular Properties

Compound Name(5S)-5-propan-2-ylpyrrolidine-2,4-dione
PubChem CID15598396
Molecular FormulaC7H11NO2
Molecular Weight141.17 g/mol
Exact Mass141.08
IUPAC Name(5S)-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-/m0/s1
InChIKeyPLFGCAPFRIWBQU-ZETCQYMHSA-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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Frequently Asked Questions

What is the IUPAC name of (5S)-5-propan-2-ylpyrrolidine-2,4-dione?
The IUPAC name of (5S)-5-propan-2-ylpyrrolidine-2,4-dione (CID 15598396) is (5S)-5-propan-2-ylpyrrolidine-2,4-dione.
What is the SMILES notation for (5S)-5-propan-2-ylpyrrolidine-2,4-dione?
The canonical SMILES for (5S)-5-propan-2-ylpyrrolidine-2,4-dione is CC(C)[C@@H]1NC(=O)CC1=O.
What is the InChIKey of (5S)-5-propan-2-ylpyrrolidine-2,4-dione?
The InChIKey is PLFGCAPFRIWBQU-ZETCQYMHSA-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-/m0/s1.
What are the key properties of (5S)-5-propan-2-ylpyrrolidine-2,4-dione?
(5S)-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 (5S)-5-propan-2-ylpyrrolidine-2,4-dione is sourced from PubChem (CID 15598396), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).