3-methyl-1-[2-[2-[(3-methyloxiran-2-yl)methoxy]ethoxy]ethyl]pyrrolidine-2,5-dione

C13H21NO5 — CID 134408422

IUPAC3-methyl-1-[2-[2-[(3-methyloxiran-2-yl)methoxy]ethoxy]ethyl]pyrrolidine-2,5-dione
SMILESCC1CC(=O)N(CCOCCOCC2OC2C)C1=O
InChIInChI=1S/C13H21NO5/c1-9-7-12(15)14(13(9)16)3-4-17-5-6-18-8-11-10(2)19-11/h9-11H,3-8H2,1-2H3
InChIKeyKBLONCXLYMYEOT-UHFFFAOYSA-N
MW271.31 g/mol
LogP0.20
Rot. Bonds8

About 3-methyl-1-[2-[2-[(3-methyloxiran-2-yl)methoxy]ethoxy]ethyl]pyrrolidine-2,5-dione

3-methyl-1-[2-[2-[(3-methyloxiran-2-yl)methoxy]ethoxy]ethyl]pyrrolidine-2,5-dione (PubChem CID 134408422) has the molecular formula C13H21NO5 and a molecular weight of 271.31 g/mol. Its IUPAC name is 3-methyl-1-[2-[2-[(3-methyloxiran-2-yl)methoxy]ethoxy]ethyl]pyrrolidine-2,5-dione.

Molecular Properties

Compound Name3-methyl-1-[2-[2-[(3-methyloxiran-2-yl)methoxy]ethoxy]ethyl]pyrrolidine-2,5-dione
PubChem CID134408422
Molecular FormulaC13H21NO5
Molecular Weight271.31 g/mol
Exact Mass271.14
IUPAC Name3-methyl-1-[2-[2-[(3-methyloxiran-2-yl)methoxy]ethoxy]ethyl]pyrrolidine-2,5-dione
SMILESCC1CC(=O)N(CCOCCOCC2OC2C)C1=O
InChIInChI=1S/C13H21NO5/c1-9-7-12(15)14(13(9)16)3-4-17-5-6-18-8-11-10(2)19-11/h9-11H,3-8H2,1-2H3
InChIKeyKBLONCXLYMYEOT-UHFFFAOYSA-N
XLogP0.20
TPSA68.37 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.31
LogP ≤ 50.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'phthalimide', 'substructure': 'N/A'}, {'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-1-[2-[2-[(3-methyloxiran-2-yl)methoxy]ethoxy]ethyl]pyrrolidine-2,5-dione?
The IUPAC name of 3-methyl-1-[2-[2-[(3-methyloxiran-2-yl)methoxy]ethoxy]ethyl]pyrrolidine-2,5-dione (CID 134408422) is 3-methyl-1-[2-[2-[(3-methyloxiran-2-yl)methoxy]ethoxy]ethyl]pyrrolidine-2,5-dione.
What is the SMILES notation for 3-methyl-1-[2-[2-[(3-methyloxiran-2-yl)methoxy]ethoxy]ethyl]pyrrolidine-2,5-dione?
The canonical SMILES for 3-methyl-1-[2-[2-[(3-methyloxiran-2-yl)methoxy]ethoxy]ethyl]pyrrolidine-2,5-dione is CC1CC(=O)N(CCOCCOCC2OC2C)C1=O.
What is the InChIKey of 3-methyl-1-[2-[2-[(3-methyloxiran-2-yl)methoxy]ethoxy]ethyl]pyrrolidine-2,5-dione?
The InChIKey is KBLONCXLYMYEOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21NO5/c1-9-7-12(15)14(13(9)16)3-4-17-5-6-18-8-11-10(2)19-11/h9-11H,3-8H2,1-2H3.
What are the key properties of 3-methyl-1-[2-[2-[(3-methyloxiran-2-yl)methoxy]ethoxy]ethyl]pyrrolidine-2,5-dione?
3-methyl-1-[2-[2-[(3-methyloxiran-2-yl)methoxy]ethoxy]ethyl]pyrrolidine-2,5-dione has a molecular weight of 271.31 g/mol, XLogP of 0.20, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-1-[2-[2-[(3-methyloxiran-2-yl)methoxy]ethoxy]ethyl]pyrrolidine-2,5-dione is sourced from PubChem (CID 134408422), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).