3-(oxan-4-ylmethylamino)pyrrolidine-2,5-dione

C10H16N2O3 — CID 63726842

IUPAC3-(oxan-4-ylmethylamino)pyrrolidine-2,5-dione
SMILESO=C1CC(NCC2CCOCC2)C(=O)N1
InChIInChI=1S/C10H16N2O3/c13-9-5-8(10(14)12-9)11-6-7-1-3-15-4-2-7/h7-8,11H,1-6H2,(H,12,13,14)
InChIKeyPLJLQMDEKXCFBC-UHFFFAOYSA-N
MW212.25 g/mol
LogP-0.58
Rot. Bonds3

About 3-(oxan-4-ylmethylamino)pyrrolidine-2,5-dione

3-(oxan-4-ylmethylamino)pyrrolidine-2,5-dione (PubChem CID 63726842) has the molecular formula C10H16N2O3 and a molecular weight of 212.25 g/mol. Its IUPAC name is 3-(oxan-4-ylmethylamino)pyrrolidine-2,5-dione.

Molecular Properties

Compound Name3-(oxan-4-ylmethylamino)pyrrolidine-2,5-dione
PubChem CID63726842
Molecular FormulaC10H16N2O3
Molecular Weight212.25 g/mol
Exact Mass212.12
IUPAC Name3-(oxan-4-ylmethylamino)pyrrolidine-2,5-dione
SMILESO=C1CC(NCC2CCOCC2)C(=O)N1
InChIInChI=1S/C10H16N2O3/c13-9-5-8(10(14)12-9)11-6-7-1-3-15-4-2-7/h7-8,11H,1-6H2,(H,12,13,14)
InChIKeyPLJLQMDEKXCFBC-UHFFFAOYSA-N
XLogP-0.58
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.25
LogP ≤ 5-0.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3-[(4-hydroxycyclohexyl)methylamino]pyrrolidine-2,5-dione
CID 106133147
3-(1,4-dioxan-2-ylmethylamino)pyrrolidine-2,5-dione
CID 61024737
(3R)-3-[[(2R)-oxan-2-yl]methylamino]pyrrolidine-2,5-dione
CID 98630960
3-[(1,1-dioxothiolan-3-yl)methylamino]pyrrolidine-2,5-dione
CID 61058278
3-(cyclooctylmethylamino)piperidine-2,6-dione
CID 114207756
3-(oxan-4-ylmethylamino)oxolan-2-one
CID 130685081
(3S)-3-[[(2R)-4-methylmorpholin-2-yl]methylamino]pyrrolidine-2,5-dione
CID 124863979
3-(2,2-dimethylpropylamino)pyrrolidine-2,5-dione
CID 61166040
3-(2-aminoethylamino)pyrrolidine-2,5-dione;dihydrochloride
CID 134691153
3-(oxan-4-ylmethylamino)-1-propylpyrrolidine-2,5-dione
CID 63726836
3-(2-methylprop-2-enylamino)pyrrolidine-2,5-dione
CID 114616626
(3S)-3-(methylamino)pyrrolidine-2,5-dione
CID 98340872

Frequently Asked Questions

What is the IUPAC name of 3-(oxan-4-ylmethylamino)pyrrolidine-2,5-dione?
The IUPAC name of 3-(oxan-4-ylmethylamino)pyrrolidine-2,5-dione (CID 63726842) is 3-(oxan-4-ylmethylamino)pyrrolidine-2,5-dione.
What is the SMILES notation for 3-(oxan-4-ylmethylamino)pyrrolidine-2,5-dione?
The canonical SMILES for 3-(oxan-4-ylmethylamino)pyrrolidine-2,5-dione is O=C1CC(NCC2CCOCC2)C(=O)N1.
What is the InChIKey of 3-(oxan-4-ylmethylamino)pyrrolidine-2,5-dione?
The InChIKey is PLJLQMDEKXCFBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N2O3/c13-9-5-8(10(14)12-9)11-6-7-1-3-15-4-2-7/h7-8,11H,1-6H2,(H,12,13,14).
What are the key properties of 3-(oxan-4-ylmethylamino)pyrrolidine-2,5-dione?
3-(oxan-4-ylmethylamino)pyrrolidine-2,5-dione has a molecular weight of 212.25 g/mol, XLogP of -0.58, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(oxan-4-ylmethylamino)pyrrolidine-2,5-dione is sourced from PubChem (CID 63726842), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).