1-[1,2-dimethoxy-2-(2-oxopyrrolidin-1-yl)ethyl]pyrrolidin-2-one

C12H20N2O4 — CID 23767933

IUPAC1-[1,2-dimethoxy-2-(2-oxopyrrolidin-1-yl)ethyl]pyrrolidin-2-one
SMILESCOC(C(OC)N1CCCC1=O)N1CCCC1=O
InChIInChI=1S/C12H20N2O4/c1-17-11(13-7-3-5-9(13)15)12(18-2)14-8-4-6-10(14)16/h11-12H,3-8H2,1-2H3
InChIKeyDESYKYFKTVAPTA-UHFFFAOYSA-N
MW256.30 g/mol
LogP0.18
Rot. Bonds5

About 1-[1,2-dimethoxy-2-(2-oxopyrrolidin-1-yl)ethyl]pyrrolidin-2-one

1-[1,2-dimethoxy-2-(2-oxopyrrolidin-1-yl)ethyl]pyrrolidin-2-one (PubChem CID 23767933) has the molecular formula C12H20N2O4 and a molecular weight of 256.30 g/mol. Its IUPAC name is 1-[1,2-dimethoxy-2-(2-oxopyrrolidin-1-yl)ethyl]pyrrolidin-2-one.

Molecular Properties

Compound Name1-[1,2-dimethoxy-2-(2-oxopyrrolidin-1-yl)ethyl]pyrrolidin-2-one
PubChem CID23767933
Molecular FormulaC12H20N2O4
Molecular Weight256.30 g/mol
Exact Mass256.14
IUPAC Name1-[1,2-dimethoxy-2-(2-oxopyrrolidin-1-yl)ethyl]pyrrolidin-2-one
SMILESCOC(C(OC)N1CCCC1=O)N1CCCC1=O
InChIInChI=1S/C12H20N2O4/c1-17-11(13-7-3-5-9(13)15)12(18-2)14-8-4-6-10(14)16/h11-12H,3-8H2,1-2H3
InChIKeyDESYKYFKTVAPTA-UHFFFAOYSA-N
XLogP0.18
TPSA59.08 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.30
LogP ≤ 50.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[1,2-dimethoxy-2-(2-oxopyrrolidin-1-yl)ethyl]pyrrolidin-2-one?
The IUPAC name of 1-[1,2-dimethoxy-2-(2-oxopyrrolidin-1-yl)ethyl]pyrrolidin-2-one (CID 23767933) is 1-[1,2-dimethoxy-2-(2-oxopyrrolidin-1-yl)ethyl]pyrrolidin-2-one.
What is the SMILES notation for 1-[1,2-dimethoxy-2-(2-oxopyrrolidin-1-yl)ethyl]pyrrolidin-2-one?
The canonical SMILES for 1-[1,2-dimethoxy-2-(2-oxopyrrolidin-1-yl)ethyl]pyrrolidin-2-one is COC(C(OC)N1CCCC1=O)N1CCCC1=O.
What is the InChIKey of 1-[1,2-dimethoxy-2-(2-oxopyrrolidin-1-yl)ethyl]pyrrolidin-2-one?
The InChIKey is DESYKYFKTVAPTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2O4/c1-17-11(13-7-3-5-9(13)15)12(18-2)14-8-4-6-10(14)16/h11-12H,3-8H2,1-2H3.
What are the key properties of 1-[1,2-dimethoxy-2-(2-oxopyrrolidin-1-yl)ethyl]pyrrolidin-2-one?
1-[1,2-dimethoxy-2-(2-oxopyrrolidin-1-yl)ethyl]pyrrolidin-2-one has a molecular weight of 256.30 g/mol, XLogP of 0.18, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1,2-dimethoxy-2-(2-oxopyrrolidin-1-yl)ethyl]pyrrolidin-2-one is sourced from PubChem (CID 23767933), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).