3,3-dimethyl-5-propan-2-ylpyrrolidine-2,4-dione

C9H15NO2 — CID 59557008

IUPAC3,3-dimethyl-5-propan-2-ylpyrrolidine-2,4-dione
SMILESCC(C)C1NC(=O)C(C)(C)C1=O
InChIInChI=1S/C9H15NO2/c1-5(2)6-7(11)9(3,4)8(12)10-6/h5-6H,1-4H3,(H,10,12)
InChIKeyMATSIKGLSGUFNW-UHFFFAOYSA-N
MW169.22 g/mol
LogP0.74
Rot. Bonds1

About 3,3-dimethyl-5-propan-2-ylpyrrolidine-2,4-dione

3,3-dimethyl-5-propan-2-ylpyrrolidine-2,4-dione (PubChem CID 59557008) has the molecular formula C9H15NO2 and a molecular weight of 169.22 g/mol. Its IUPAC name is 3,3-dimethyl-5-propan-2-ylpyrrolidine-2,4-dione.

Molecular Properties

Compound Name3,3-dimethyl-5-propan-2-ylpyrrolidine-2,4-dione
PubChem CID59557008
Molecular FormulaC9H15NO2
Molecular Weight169.22 g/mol
Exact Mass169.11
IUPAC Name3,3-dimethyl-5-propan-2-ylpyrrolidine-2,4-dione
SMILESCC(C)C1NC(=O)C(C)(C)C1=O
InChIInChI=1S/C9H15NO2/c1-5(2)6-7(11)9(3,4)8(12)10-6/h5-6H,1-4H3,(H,10,12)
InChIKeyMATSIKGLSGUFNW-UHFFFAOYSA-N
XLogP0.74
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.22
LogP ≤ 50.74
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-Epidysidamide G
CID 76764241
2,4-Pyrrolidinedione, 3-acetyl-5-(1-methylpropyl)-
CID 104833
1-Methyl-5-(1-methylethyl)-2,4-pyrrolidinedione
CID 13197666
5-Tert-butylpyrrolidine-2,4-dione
CID 20805022
(R)-5-tert-butylpyrrolidin-2-one
CID 55299063
(5S)-3-acetyl-5-[(2S)-butan-2-yl]pyrrolidine-2,4-dione
CID 441580
Dysidamide G
CID 12190933
(3R,5S)-3-acetyl-5-[(2S)-butan-2-yl]pyrrolidine-2,4-dione
CID 129373411
(3R,5S)-3-acetyl-5-propan-2-ylpyrrolidine-2,4-dione
CID 163023732
rac-(1R,5S)-7,7-dimethyl-2-azabicyclo(3.2.0)heptane-3,6-dione
CID 146049447
3-Acetyl-5-isopropyl-2,4-pyrrolidinedione
CID 3083645
5-s-Butyl-pyrrolidine-2,4-dione
CID 19438026

Frequently Asked Questions

What is the IUPAC name of 3,3-dimethyl-5-propan-2-ylpyrrolidine-2,4-dione?
The IUPAC name of 3,3-dimethyl-5-propan-2-ylpyrrolidine-2,4-dione (CID 59557008) is 3,3-dimethyl-5-propan-2-ylpyrrolidine-2,4-dione.
What is the SMILES notation for 3,3-dimethyl-5-propan-2-ylpyrrolidine-2,4-dione?
The canonical SMILES for 3,3-dimethyl-5-propan-2-ylpyrrolidine-2,4-dione is CC(C)C1NC(=O)C(C)(C)C1=O.
What is the InChIKey of 3,3-dimethyl-5-propan-2-ylpyrrolidine-2,4-dione?
The InChIKey is MATSIKGLSGUFNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15NO2/c1-5(2)6-7(11)9(3,4)8(12)10-6/h5-6H,1-4H3,(H,10,12).
What are the key properties of 3,3-dimethyl-5-propan-2-ylpyrrolidine-2,4-dione?
3,3-dimethyl-5-propan-2-ylpyrrolidine-2,4-dione has a molecular weight of 169.22 g/mol, XLogP of 0.74, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-dimethyl-5-propan-2-ylpyrrolidine-2,4-dione is sourced from PubChem (CID 59557008), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).