1-(2,2-dimethoxyethyl)pyrrolidine-2,5-dione

C8H13NO4 — CID 21203968

IUPAC1-(2,2-dimethoxyethyl)pyrrolidine-2,5-dione
SMILESCOC(CN1C(=O)CCC1=O)OC
InChIInChI=1S/C8H13NO4/c1-12-8(13-2)5-9-6(10)3-4-7(9)11/h8H,3-5H2,1-2H3
InChIKeyIAKVRMAUSKDUKN-UHFFFAOYSA-N
MW187.19 g/mol
LogP-0.25
Rot. Bonds4

About 1-(2,2-dimethoxyethyl)pyrrolidine-2,5-dione

1-(2,2-dimethoxyethyl)pyrrolidine-2,5-dione (PubChem CID 21203968) has the molecular formula C8H13NO4 and a molecular weight of 187.19 g/mol. Its IUPAC name is 1-(2,2-dimethoxyethyl)pyrrolidine-2,5-dione.

Molecular Properties

Compound Name1-(2,2-dimethoxyethyl)pyrrolidine-2,5-dione
PubChem CID21203968
Molecular FormulaC8H13NO4
Molecular Weight187.19 g/mol
Exact Mass187.08
IUPAC Name1-(2,2-dimethoxyethyl)pyrrolidine-2,5-dione
SMILESCOC(CN1C(=O)CCC1=O)OC
InChIInChI=1S/C8H13NO4/c1-12-8(13-2)5-9-6(10)3-4-7(9)11/h8H,3-5H2,1-2H3
InChIKeyIAKVRMAUSKDUKN-UHFFFAOYSA-N
XLogP-0.25
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 ≤ 5-0.25
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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Frequently Asked Questions

What is the IUPAC name of 1-(2,2-dimethoxyethyl)pyrrolidine-2,5-dione?
The IUPAC name of 1-(2,2-dimethoxyethyl)pyrrolidine-2,5-dione (CID 21203968) is 1-(2,2-dimethoxyethyl)pyrrolidine-2,5-dione.
What is the SMILES notation for 1-(2,2-dimethoxyethyl)pyrrolidine-2,5-dione?
The canonical SMILES for 1-(2,2-dimethoxyethyl)pyrrolidine-2,5-dione is COC(CN1C(=O)CCC1=O)OC.
What is the InChIKey of 1-(2,2-dimethoxyethyl)pyrrolidine-2,5-dione?
The InChIKey is IAKVRMAUSKDUKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13NO4/c1-12-8(13-2)5-9-6(10)3-4-7(9)11/h8H,3-5H2,1-2H3.
What are the key properties of 1-(2,2-dimethoxyethyl)pyrrolidine-2,5-dione?
1-(2,2-dimethoxyethyl)pyrrolidine-2,5-dione has a molecular weight of 187.19 g/mol, XLogP of -0.25, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,2-dimethoxyethyl)pyrrolidine-2,5-dione is sourced from PubChem (CID 21203968), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).