3-(hydroxymethyl)-1-(2-methylpropyl)pyrrolidine-2,5-dione

C9H15NO3 — CID 105441620

IUPAC3-(hydroxymethyl)-1-(2-methylpropyl)pyrrolidine-2,5-dione
SMILESCC(C)CN1C(=O)CC(CO)C1=O
InChIInChI=1S/C9H15NO3/c1-6(2)4-10-8(12)3-7(5-11)9(10)13/h6-7,11H,3-5H2,1-2H3
InChIKeyLRIIGTGKFBJJJW-UHFFFAOYSA-N
MW185.22 g/mol
LogP0.01
Rot. Bonds3

About 3-(hydroxymethyl)-1-(2-methylpropyl)pyrrolidine-2,5-dione

3-(hydroxymethyl)-1-(2-methylpropyl)pyrrolidine-2,5-dione (PubChem CID 105441620) has the molecular formula C9H15NO3 and a molecular weight of 185.22 g/mol. Its IUPAC name is 3-(hydroxymethyl)-1-(2-methylpropyl)pyrrolidine-2,5-dione.

Molecular Properties

Compound Name3-(hydroxymethyl)-1-(2-methylpropyl)pyrrolidine-2,5-dione
PubChem CID105441620
Molecular FormulaC9H15NO3
Molecular Weight185.22 g/mol
Exact Mass185.11
IUPAC Name3-(hydroxymethyl)-1-(2-methylpropyl)pyrrolidine-2,5-dione
SMILESCC(C)CN1C(=O)CC(CO)C1=O
InChIInChI=1S/C9H15NO3/c1-6(2)4-10-8(12)3-7(5-11)9(10)13/h6-7,11H,3-5H2,1-2H3
InChIKeyLRIIGTGKFBJJJW-UHFFFAOYSA-N
XLogP0.01
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.22
LogP ≤ 50.01
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

(3S)-3-amino-1-(2-methylpropyl)piperidine-2,6-dione
CID 39221101
3-methyl-1-(2-methylpropyl)piperazine-2,6-dione
CID 66075671
methanethiol;1-(2-methylpropyl)-3-methylsulfanylpyrrolidine-2,5-dione;1-(2-methylpropyl)pyrrole-2,5-dione
CID 158574620
1-[3-(cyclohexyloxymethyl)-2,5-dioxopyrrolidin-1-yl]propan-2-yl benzoate
CID 118895008
3-butan-2-yl-1-(2-methylbutyl)pyrrolidine-2,5-dione
CID 147895456
2-amino-6-(2,5-dioxo-3-tetracosylpyrrolidin-1-yl)hexanoic acid
CID 90369111
(3R)-3-[4-(4-fluorophenyl)piperazin-1-ium-1-yl]-1-(2-methylpropyl)pyrrolidine-2,5-dione
CID 7456407
(3R)-3-(4-benzylpiperazine-1,4-diium-1-yl)-1-(2-methylpropyl)pyrrolidine-2,5-dione
CID 7392954
3-ethyl-1-(7-methyl-6-oxononyl)pyrrolidine-2,5-dione
CID 145169195
3-benzyl-1-ethylpyrrolidine-2,5-dione
CID 3063281
2-[3-[(3,5-difluorophenyl)methyl]-2,5-dioxopyrrolidin-1-yl]acetic acid
CID 110458255
(3R)-1-[(2R)-2-(4-fluorophenyl)-2-hydroxyethyl]-3-[(1-methylpyrazol-4-yl)methyl]pyrrolidine-2,5-dione
CID 98202152

Frequently Asked Questions

What is the IUPAC name of 3-(hydroxymethyl)-1-(2-methylpropyl)pyrrolidine-2,5-dione?
The IUPAC name of 3-(hydroxymethyl)-1-(2-methylpropyl)pyrrolidine-2,5-dione (CID 105441620) is 3-(hydroxymethyl)-1-(2-methylpropyl)pyrrolidine-2,5-dione.
What is the SMILES notation for 3-(hydroxymethyl)-1-(2-methylpropyl)pyrrolidine-2,5-dione?
The canonical SMILES for 3-(hydroxymethyl)-1-(2-methylpropyl)pyrrolidine-2,5-dione is CC(C)CN1C(=O)CC(CO)C1=O.
What is the InChIKey of 3-(hydroxymethyl)-1-(2-methylpropyl)pyrrolidine-2,5-dione?
The InChIKey is LRIIGTGKFBJJJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15NO3/c1-6(2)4-10-8(12)3-7(5-11)9(10)13/h6-7,11H,3-5H2,1-2H3.
What are the key properties of 3-(hydroxymethyl)-1-(2-methylpropyl)pyrrolidine-2,5-dione?
3-(hydroxymethyl)-1-(2-methylpropyl)pyrrolidine-2,5-dione has a molecular weight of 185.22 g/mol, XLogP of 0.01, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(hydroxymethyl)-1-(2-methylpropyl)pyrrolidine-2,5-dione is sourced from PubChem (CID 105441620), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).