1-[2-(methoxymethoxy)ethyl]pyrrole-2,5-dione

C8H11NO4 — CID 59335541

IUPAC1-[2-(methoxymethoxy)ethyl]pyrrole-2,5-dione
SMILESCOCOCCN1C(=O)C=CC1=O
InChIInChI=1S/C8H11NO4/c1-12-6-13-5-4-9-7(10)2-3-8(9)11/h2-3H,4-6H2,1H3
InChIKeyVJBZRWDGZXTJGP-UHFFFAOYSA-N
MW185.18 g/mol
LogP-0.47
Rot. Bonds5

About 1-[2-(methoxymethoxy)ethyl]pyrrole-2,5-dione

1-[2-(methoxymethoxy)ethyl]pyrrole-2,5-dione (PubChem CID 59335541) has the molecular formula C8H11NO4 and a molecular weight of 185.18 g/mol. Its IUPAC name is 1-[2-(methoxymethoxy)ethyl]pyrrole-2,5-dione.

Molecular Properties

Compound Name1-[2-(methoxymethoxy)ethyl]pyrrole-2,5-dione
PubChem CID59335541
Molecular FormulaC8H11NO4
Molecular Weight185.18 g/mol
Exact Mass185.07
IUPAC Name1-[2-(methoxymethoxy)ethyl]pyrrole-2,5-dione
SMILESCOCOCCN1C(=O)C=CC1=O
InChIInChI=1S/C8H11NO4/c1-12-6-13-5-4-9-7(10)2-3-8(9)11/h2-3H,4-6H2,1H3
InChIKeyVJBZRWDGZXTJGP-UHFFFAOYSA-N
XLogP-0.47
TPSA55.84 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.18
LogP ≤ 5-0.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'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-(methoxymethoxy)ethyl]pyrrole-2,5-dione?
The IUPAC name of 1-[2-(methoxymethoxy)ethyl]pyrrole-2,5-dione (CID 59335541) is 1-[2-(methoxymethoxy)ethyl]pyrrole-2,5-dione.
What is the SMILES notation for 1-[2-(methoxymethoxy)ethyl]pyrrole-2,5-dione?
The canonical SMILES for 1-[2-(methoxymethoxy)ethyl]pyrrole-2,5-dione is COCOCCN1C(=O)C=CC1=O.
What is the InChIKey of 1-[2-(methoxymethoxy)ethyl]pyrrole-2,5-dione?
The InChIKey is VJBZRWDGZXTJGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11NO4/c1-12-6-13-5-4-9-7(10)2-3-8(9)11/h2-3H,4-6H2,1H3.
What are the key properties of 1-[2-(methoxymethoxy)ethyl]pyrrole-2,5-dione?
1-[2-(methoxymethoxy)ethyl]pyrrole-2,5-dione has a molecular weight of 185.18 g/mol, XLogP of -0.47, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(methoxymethoxy)ethyl]pyrrole-2,5-dione is sourced from PubChem (CID 59335541), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).