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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Related Compounds

CID 3081158
CID 3081158
CID 18976538
CID 18976538
CID 21574810
CID 21574810
CID 129891991
CID 129891991
CID 4660578
CID 4660578
CID 13651922
CID 13651922
CID 17857412
CID 17857412
CID 17857427
CID 17857427
CID 17857431
CID 17857431
CID 18718361
CID 18718361
CID 18718362
CID 18718362
CID 20771184
CID 20771184

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).