1-[2-(1,3-dioxan-2-yl)ethyl]-3-methylpyrrolidine-2,5-dione

C11H17NO4 — CID 66475155

IUPAC1-[2-(1,3-dioxan-2-yl)ethyl]-3-methylpyrrolidine-2,5-dione
SMILESCC1CC(=O)N(CCC2OCCCO2)C1=O
InChIInChI=1S/C11H17NO4/c1-8-7-9(13)12(11(8)14)4-3-10-15-5-2-6-16-10/h8,10H,2-7H2,1H3
InChIKeyNVAFRHIQPQOKAG-UHFFFAOYSA-N
MW227.26 g/mol
LogP0.53
Rot. Bonds3

About 1-[2-(1,3-dioxan-2-yl)ethyl]-3-methylpyrrolidine-2,5-dione

1-[2-(1,3-dioxan-2-yl)ethyl]-3-methylpyrrolidine-2,5-dione (PubChem CID 66475155) has the molecular formula C11H17NO4 and a molecular weight of 227.26 g/mol. Its IUPAC name is 1-[2-(1,3-dioxan-2-yl)ethyl]-3-methylpyrrolidine-2,5-dione.

Molecular Properties

Compound Name1-[2-(1,3-dioxan-2-yl)ethyl]-3-methylpyrrolidine-2,5-dione
PubChem CID66475155
Molecular FormulaC11H17NO4
Molecular Weight227.26 g/mol
Exact Mass227.12
IUPAC Name1-[2-(1,3-dioxan-2-yl)ethyl]-3-methylpyrrolidine-2,5-dione
SMILESCC1CC(=O)N(CCC2OCCCO2)C1=O
InChIInChI=1S/C11H17NO4/c1-8-7-9(13)12(11(8)14)4-3-10-15-5-2-6-16-10/h8,10H,2-7H2,1H3
InChIKeyNVAFRHIQPQOKAG-UHFFFAOYSA-N
XLogP0.53
TPSA55.84 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.26
LogP ≤ 50.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-[2-(1,3-dioxan-2-yl)ethyl]-3-methylpyrrolidine-2,5-dione?
The IUPAC name of 1-[2-(1,3-dioxan-2-yl)ethyl]-3-methylpyrrolidine-2,5-dione (CID 66475155) is 1-[2-(1,3-dioxan-2-yl)ethyl]-3-methylpyrrolidine-2,5-dione.
What is the SMILES notation for 1-[2-(1,3-dioxan-2-yl)ethyl]-3-methylpyrrolidine-2,5-dione?
The canonical SMILES for 1-[2-(1,3-dioxan-2-yl)ethyl]-3-methylpyrrolidine-2,5-dione is CC1CC(=O)N(CCC2OCCCO2)C1=O.
What is the InChIKey of 1-[2-(1,3-dioxan-2-yl)ethyl]-3-methylpyrrolidine-2,5-dione?
The InChIKey is NVAFRHIQPQOKAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17NO4/c1-8-7-9(13)12(11(8)14)4-3-10-15-5-2-6-16-10/h8,10H,2-7H2,1H3.
What are the key properties of 1-[2-(1,3-dioxan-2-yl)ethyl]-3-methylpyrrolidine-2,5-dione?
1-[2-(1,3-dioxan-2-yl)ethyl]-3-methylpyrrolidine-2,5-dione has a molecular weight of 227.26 g/mol, XLogP of 0.53, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(1,3-dioxan-2-yl)ethyl]-3-methylpyrrolidine-2,5-dione is sourced from PubChem (CID 66475155), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).