1-(2-hydroxypropyl)-3,3-dimethylpyrrolidine-2,5-dione

C9H15NO3 — CID 65298071

IUPAC1-(2-hydroxypropyl)-3,3-dimethylpyrrolidine-2,5-dione
SMILESCC(O)CN1C(=O)CC(C)(C)C1=O
InChIInChI=1S/C9H15NO3/c1-6(11)5-10-7(12)4-9(2,3)8(10)13/h6,11H,4-5H2,1-3H3
InChIKeyMPVPDTFPXXEZQG-UHFFFAOYSA-N
MW185.22 g/mol
LogP0.15
Rot. Bonds2

About 1-(2-hydroxypropyl)-3,3-dimethylpyrrolidine-2,5-dione

1-(2-hydroxypropyl)-3,3-dimethylpyrrolidine-2,5-dione (PubChem CID 65298071) has the molecular formula C9H15NO3 and a molecular weight of 185.22 g/mol. Its IUPAC name is 1-(2-hydroxypropyl)-3,3-dimethylpyrrolidine-2,5-dione.

Molecular Properties

Compound Name1-(2-hydroxypropyl)-3,3-dimethylpyrrolidine-2,5-dione
PubChem CID65298071
Molecular FormulaC9H15NO3
Molecular Weight185.22 g/mol
Exact Mass185.11
IUPAC Name1-(2-hydroxypropyl)-3,3-dimethylpyrrolidine-2,5-dione
SMILESCC(O)CN1C(=O)CC(C)(C)C1=O
InChIInChI=1S/C9H15NO3/c1-6(11)5-10-7(12)4-9(2,3)8(10)13/h6,11H,4-5H2,1-3H3
InChIKeyMPVPDTFPXXEZQG-UHFFFAOYSA-N
XLogP0.15
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.22
LogP ≤ 50.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phthalimide', 'substructure': 'N/A'}

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Related Compounds

3,3-dimethyl-1-[2-(methylamino)propyl]pyrrolidine-2,5-dione
CID 65301272
1-[2-(3,5-dimethylphenyl)-2-hydroxyethyl]-3,3-dimethylpyrrolidine-2,5-dione
CID 79040413
3,3-dimethyl-1-(2-oxopropyl)pyrrolidine-2,5-dione
CID 65301965
1-[2-(4-ethylphenyl)-2-hydroxyethyl]-3,3-dimethylpyrrolidine-2,5-dione
CID 65301431
1-[3-(cyclopropylamino)-2-methylpropyl]-3,3-dimethylpyrrolidine-2,5-dione
CID 65301823
1-[2-(bromomethyl)-3,3-dimethylbutyl]-3,3-dimethylpyrrolidine-2,5-dione
CID 65301564
1-[2-hydroxy-2-(4-propylphenyl)ethyl]-3,3-dimethylpyrrolidine-2,5-dione
CID 65301285
1-[2-(aminomethyl)-3,3,3-trifluoropropyl]-3,3-dimethylpyrrolidine-2,5-dione
CID 103366612
1-[2-(ethylamino)-3,3-dimethylbutyl]-3,3-dimethylpyrrolidine-2,5-dione
CID 65301274
3,3-dimethyl-1-(4-oxopentyl)pyrrolidine-2,5-dione
CID 65301376
1-(3-hydroxy-3-methylbutyl)-3,3-dimethylpyrrolidine-2,5-dione
CID 79360715
3,3-dimethyl-1-(3-oxopentan-2-yl)pyrrolidine-2,5-dione
CID 65301577

Frequently Asked Questions

What is the IUPAC name of 1-(2-hydroxypropyl)-3,3-dimethylpyrrolidine-2,5-dione?
The IUPAC name of 1-(2-hydroxypropyl)-3,3-dimethylpyrrolidine-2,5-dione (CID 65298071) is 1-(2-hydroxypropyl)-3,3-dimethylpyrrolidine-2,5-dione.
What is the SMILES notation for 1-(2-hydroxypropyl)-3,3-dimethylpyrrolidine-2,5-dione?
The canonical SMILES for 1-(2-hydroxypropyl)-3,3-dimethylpyrrolidine-2,5-dione is CC(O)CN1C(=O)CC(C)(C)C1=O.
What is the InChIKey of 1-(2-hydroxypropyl)-3,3-dimethylpyrrolidine-2,5-dione?
The InChIKey is MPVPDTFPXXEZQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15NO3/c1-6(11)5-10-7(12)4-9(2,3)8(10)13/h6,11H,4-5H2,1-3H3.
What are the key properties of 1-(2-hydroxypropyl)-3,3-dimethylpyrrolidine-2,5-dione?
1-(2-hydroxypropyl)-3,3-dimethylpyrrolidine-2,5-dione has a molecular weight of 185.22 g/mol, XLogP of 0.15, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-hydroxypropyl)-3,3-dimethylpyrrolidine-2,5-dione is sourced from PubChem (CID 65298071), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).