3-[(3-hydroxyoxolan-3-yl)methylamino]-1-methylpyrrolidine-2,5-dione

C10H16N2O4 — CID 106100391

IUPAC3-[(3-hydroxyoxolan-3-yl)methylamino]-1-methylpyrrolidine-2,5-dione
SMILESCN1C(=O)CC(NCC2(O)CCOC2)C1=O
InChIInChI=1S/C10H16N2O4/c1-12-8(13)4-7(9(12)14)11-5-10(15)2-3-16-6-10/h7,11,15H,2-6H2,1H3
InChIKeySDFJLHVOBUCEKR-UHFFFAOYSA-N
MW228.25 g/mol
LogP-1.52
Rot. Bonds3

About 3-[(3-hydroxyoxolan-3-yl)methylamino]-1-methylpyrrolidine-2,5-dione

3-[(3-hydroxyoxolan-3-yl)methylamino]-1-methylpyrrolidine-2,5-dione (PubChem CID 106100391) has the molecular formula C10H16N2O4 and a molecular weight of 228.25 g/mol. Its IUPAC name is 3-[(3-hydroxyoxolan-3-yl)methylamino]-1-methylpyrrolidine-2,5-dione.

Molecular Properties

Compound Name3-[(3-hydroxyoxolan-3-yl)methylamino]-1-methylpyrrolidine-2,5-dione
PubChem CID106100391
Molecular FormulaC10H16N2O4
Molecular Weight228.25 g/mol
Exact Mass228.11
IUPAC Name3-[(3-hydroxyoxolan-3-yl)methylamino]-1-methylpyrrolidine-2,5-dione
SMILESCN1C(=O)CC(NCC2(O)CCOC2)C1=O
InChIInChI=1S/C10H16N2O4/c1-12-8(13)4-7(9(12)14)11-5-10(15)2-3-16-6-10/h7,11,15H,2-6H2,1H3
InChIKeySDFJLHVOBUCEKR-UHFFFAOYSA-N
XLogP-1.52
TPSA78.87 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.25
LogP ≤ 5-1.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

3-[(3-hydroxyoxolan-3-yl)methylamino]azepan-2-one
CID 106100788
(3R)-3-[[[(1S)-2,2-dimethylcyclopentyl]amino]methyl]oxolan-3-ol
CID 97108283
1-methyl-3-(1-oxaspiro[4.4]nonan-2-ylmethylamino)pyrrolidine-2,5-dione
CID 102897435
4-[(3-hydroxyoxolan-3-yl)methylamino]piperidine-1-carboxamide
CID 113349181
3-[[(1-methylazepan-4-yl)amino]methyl]oxolan-3-ol
CID 103904879
4-[(3-methoxyoxolan-3-yl)methylamino]-1-methyl-3,4-dihydroquinolin-2-one
CID 104705970
3-[[(1-methylsulfonylpiperidin-4-yl)amino]methyl]oxolan-3-ol
CID 113349162
3-(6-hydroxyhexylamino)-1-methylpyrrolidine-2,5-dione
CID 107703458
6-[(3-hydroxyoxolan-3-yl)methylamino]-2,4-dimethyl-1,2,4-triazine-3,5-dione
CID 103847756
N-[(3-hydroxyoxolan-3-yl)methyl]-4-methylpiperidine-1-carboxamide
CID 106100321
3-[[(4-tert-butylcyclohexyl)amino]methyl]oxolan-3-ol
CID 103848335
3-[[[3-(2-chlorophenyl)cyclobutyl]amino]methyl]oxolan-3-ol
CID 106099993

Frequently Asked Questions

What is the IUPAC name of 3-[(3-hydroxyoxolan-3-yl)methylamino]-1-methylpyrrolidine-2,5-dione?
The IUPAC name of 3-[(3-hydroxyoxolan-3-yl)methylamino]-1-methylpyrrolidine-2,5-dione (CID 106100391) is 3-[(3-hydroxyoxolan-3-yl)methylamino]-1-methylpyrrolidine-2,5-dione.
What is the SMILES notation for 3-[(3-hydroxyoxolan-3-yl)methylamino]-1-methylpyrrolidine-2,5-dione?
The canonical SMILES for 3-[(3-hydroxyoxolan-3-yl)methylamino]-1-methylpyrrolidine-2,5-dione is CN1C(=O)CC(NCC2(O)CCOC2)C1=O.
What is the InChIKey of 3-[(3-hydroxyoxolan-3-yl)methylamino]-1-methylpyrrolidine-2,5-dione?
The InChIKey is SDFJLHVOBUCEKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N2O4/c1-12-8(13)4-7(9(12)14)11-5-10(15)2-3-16-6-10/h7,11,15H,2-6H2,1H3.
What are the key properties of 3-[(3-hydroxyoxolan-3-yl)methylamino]-1-methylpyrrolidine-2,5-dione?
3-[(3-hydroxyoxolan-3-yl)methylamino]-1-methylpyrrolidine-2,5-dione has a molecular weight of 228.25 g/mol, XLogP of -1.52, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3-hydroxyoxolan-3-yl)methylamino]-1-methylpyrrolidine-2,5-dione is sourced from PubChem (CID 106100391), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).