1-undecylpyrrole-2,5-dione

C15H25NO2 — CID 5047791

IUPAC1-undecylpyrrole-2,5-dione
SMILESCCCCCCCCCCCN1C(=O)C=CC1=O
InChIInChI=1S/C15H25NO2/c1-2-3-4-5-6-7-8-9-10-13-16-14(17)11-12-15(16)18/h11-12H,2-10,13H2,1H3
InChIKeySGWFSFTYSPSADW-UHFFFAOYSA-N
MW251.37 g/mol
LogP3.44
Rot. Bonds10

About 1-undecylpyrrole-2,5-dione

1-undecylpyrrole-2,5-dione (PubChem CID 5047791) has the molecular formula C15H25NO2 and a molecular weight of 251.37 g/mol. Its IUPAC name is 1-undecylpyrrole-2,5-dione.

Molecular Properties

Compound Name1-undecylpyrrole-2,5-dione
PubChem CID5047791
Molecular FormulaC15H25NO2
Molecular Weight251.37 g/mol
Exact Mass251.19
IUPAC Name1-undecylpyrrole-2,5-dione
SMILESCCCCCCCCCCCN1C(=O)C=CC1=O
InChIInChI=1S/C15H25NO2/c1-2-3-4-5-6-7-8-9-10-13-16-14(17)11-12-15(16)18/h11-12H,2-10,13H2,1H3
InChIKeySGWFSFTYSPSADW-UHFFFAOYSA-N
XLogP3.44
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.37
LogP ≤ 53.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'phthalimide', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-undecylpyrrole-2,5-dione?
The IUPAC name of 1-undecylpyrrole-2,5-dione (CID 5047791) is 1-undecylpyrrole-2,5-dione.
What is the SMILES notation for 1-undecylpyrrole-2,5-dione?
The canonical SMILES for 1-undecylpyrrole-2,5-dione is CCCCCCCCCCCN1C(=O)C=CC1=O.
What is the InChIKey of 1-undecylpyrrole-2,5-dione?
The InChIKey is SGWFSFTYSPSADW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25NO2/c1-2-3-4-5-6-7-8-9-10-13-16-14(17)11-12-15(16)18/h11-12H,2-10,13H2,1H3.
What are the key properties of 1-undecylpyrrole-2,5-dione?
1-undecylpyrrole-2,5-dione has a molecular weight of 251.37 g/mol, XLogP of 3.44, 10 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-undecylpyrrole-2,5-dione is sourced from PubChem (CID 5047791), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).