1-[2,2-bis(3-methoxypropoxy)ethyl]pyrrole-2,5-dione

C14H23NO6 — CID 59859136

IUPAC1-[2,2-bis(3-methoxypropoxy)ethyl]pyrrole-2,5-dione
SMILESCOCCCOC(CN1C(=O)C=CC1=O)OCCCOC
InChIInChI=1S/C14H23NO6/c1-18-7-3-9-20-14(21-10-4-8-19-2)11-15-12(16)5-6-13(15)17/h5-6,14H,3-4,7-11H2,1-2H3
InChIKeyYRWVJAZPZYJYBM-UHFFFAOYSA-N
MW301.34 g/mol
LogP0.34
Rot. Bonds12

About 1-[2,2-bis(3-methoxypropoxy)ethyl]pyrrole-2,5-dione

1-[2,2-bis(3-methoxypropoxy)ethyl]pyrrole-2,5-dione (PubChem CID 59859136) has the molecular formula C14H23NO6 and a molecular weight of 301.34 g/mol. Its IUPAC name is 1-[2,2-bis(3-methoxypropoxy)ethyl]pyrrole-2,5-dione.

Molecular Properties

Compound Name1-[2,2-bis(3-methoxypropoxy)ethyl]pyrrole-2,5-dione
PubChem CID59859136
Molecular FormulaC14H23NO6
Molecular Weight301.34 g/mol
Exact Mass301.15
IUPAC Name1-[2,2-bis(3-methoxypropoxy)ethyl]pyrrole-2,5-dione
SMILESCOCCCOC(CN1C(=O)C=CC1=O)OCCCOC
InChIInChI=1S/C14H23NO6/c1-18-7-3-9-20-14(21-10-4-8-19-2)11-15-12(16)5-6-13(15)17/h5-6,14H,3-4,7-11H2,1-2H3
InChIKeyYRWVJAZPZYJYBM-UHFFFAOYSA-N
XLogP0.34
TPSA74.30 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds12
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.34
LogP ≤ 50.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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-[2,2-bis(3-methoxypropoxy)ethyl]pyrrole-2,5-dione?
The IUPAC name of 1-[2,2-bis(3-methoxypropoxy)ethyl]pyrrole-2,5-dione (CID 59859136) is 1-[2,2-bis(3-methoxypropoxy)ethyl]pyrrole-2,5-dione.
What is the SMILES notation for 1-[2,2-bis(3-methoxypropoxy)ethyl]pyrrole-2,5-dione?
The canonical SMILES for 1-[2,2-bis(3-methoxypropoxy)ethyl]pyrrole-2,5-dione is COCCCOC(CN1C(=O)C=CC1=O)OCCCOC.
What is the InChIKey of 1-[2,2-bis(3-methoxypropoxy)ethyl]pyrrole-2,5-dione?
The InChIKey is YRWVJAZPZYJYBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23NO6/c1-18-7-3-9-20-14(21-10-4-8-19-2)11-15-12(16)5-6-13(15)17/h5-6,14H,3-4,7-11H2,1-2H3.
What are the key properties of 1-[2,2-bis(3-methoxypropoxy)ethyl]pyrrole-2,5-dione?
1-[2,2-bis(3-methoxypropoxy)ethyl]pyrrole-2,5-dione has a molecular weight of 301.34 g/mol, XLogP of 0.34, 12 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2,2-bis(3-methoxypropoxy)ethyl]pyrrole-2,5-dione is sourced from PubChem (CID 59859136), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).