1-(propan-2-yloxymethoxy)pyrrolidine-2,5-dione

C8H13NO4 — CID 167320209

IUPAC1-(propan-2-yloxymethoxy)pyrrolidine-2,5-dione
SMILESCC(C)OCON1C(=O)CCC1=O
InChIInChI=1S/C8H13NO4/c1-6(2)12-5-13-9-7(10)3-4-8(9)11/h6H,3-5H2,1-2H3
InChIKeyUWYRLUCJZBBRGU-UHFFFAOYSA-N
MW187.19 g/mol
LogP0.45
Rot. Bonds4

About 1-(propan-2-yloxymethoxy)pyrrolidine-2,5-dione

1-(propan-2-yloxymethoxy)pyrrolidine-2,5-dione (PubChem CID 167320209) has the molecular formula C8H13NO4 and a molecular weight of 187.19 g/mol. Its IUPAC name is 1-(propan-2-yloxymethoxy)pyrrolidine-2,5-dione.

Molecular Properties

Compound Name1-(propan-2-yloxymethoxy)pyrrolidine-2,5-dione
PubChem CID167320209
Molecular FormulaC8H13NO4
Molecular Weight187.19 g/mol
Exact Mass187.08
IUPAC Name1-(propan-2-yloxymethoxy)pyrrolidine-2,5-dione
SMILESCC(C)OCON1C(=O)CCC1=O
InChIInChI=1S/C8H13NO4/c1-6(2)12-5-13-9-7(10)3-4-8(9)11/h6H,3-5H2,1-2H3
InChIKeyUWYRLUCJZBBRGU-UHFFFAOYSA-N
XLogP0.45
TPSA55.84 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.19
LogP ≤ 50.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'phthalimide', 'substructure': 'N/A'}

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Related Compounds

(2,5-dioxopyrrolidin-1-yl) 3-propan-2-yloxypropanoate
CID 121263313
(2,5-dioxopyrrolidin-1-yl) N-(2-methyl-1-propan-2-yloxypropan-2-yl)carbamate
CID 139347516
1-(3-methoxypropoxy)pyrrolidine-2,5-dione
CID 59274176
1-[(2,5-dioxopyrrolidin-1-yl)oxymethyl]pyrrole-2,5-dione
CID 126595986
(2,5-dioxopyrrolidin-1-yl) 2-methylpropyl carbonate
CID 19911288
1-(2-propan-2-yloxyethyl)pyrrolidin-2-one
CID 58735421
(2,5-dioxopyrrolidin-1-yl) 1-chloroethanesulfonate
CID 21225827
(2,5-dioxopyrrolidin-1-yl) 2-methylpentanoate
CID 11206648
(2,5-dioxopyrrolidin-1-yl) 2-(1-ethoxyethylsulfanyl)acetate
CID 10659065
1-(3-methylpentan-2-yl)pyrrolidine-2,5-dione
CID 126487377
1-[2-[2-[(2S)-butan-2-yl]phenoxy]ethoxy]pyrrolidine-2,5-dione
CID 7472732
1-[1-(2,5-dioxopyrrolidin-1-yl)oxyethyl]pyrrole-2,5-dione
CID 150546781

Frequently Asked Questions

What is the IUPAC name of 1-(propan-2-yloxymethoxy)pyrrolidine-2,5-dione?
The IUPAC name of 1-(propan-2-yloxymethoxy)pyrrolidine-2,5-dione (CID 167320209) is 1-(propan-2-yloxymethoxy)pyrrolidine-2,5-dione.
What is the SMILES notation for 1-(propan-2-yloxymethoxy)pyrrolidine-2,5-dione?
The canonical SMILES for 1-(propan-2-yloxymethoxy)pyrrolidine-2,5-dione is CC(C)OCON1C(=O)CCC1=O.
What is the InChIKey of 1-(propan-2-yloxymethoxy)pyrrolidine-2,5-dione?
The InChIKey is UWYRLUCJZBBRGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13NO4/c1-6(2)12-5-13-9-7(10)3-4-8(9)11/h6H,3-5H2,1-2H3.
What are the key properties of 1-(propan-2-yloxymethoxy)pyrrolidine-2,5-dione?
1-(propan-2-yloxymethoxy)pyrrolidine-2,5-dione has a molecular weight of 187.19 g/mol, XLogP of 0.45, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(propan-2-yloxymethoxy)pyrrolidine-2,5-dione is sourced from PubChem (CID 167320209), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).