3-undecylpyrrole-2,5-dione

C15H25NO2 — CID 21396932

IUPAC3-undecylpyrrole-2,5-dione
SMILESCCCCCCCCCCCC1=CC(=O)NC1=O
InChIInChI=1S/C15H25NO2/c1-2-3-4-5-6-7-8-9-10-11-13-12-14(17)16-15(13)18/h12H,2-11H2,1H3,(H,16,17,18)
InChIKeyAIDMZXDPDDYOKL-UHFFFAOYSA-N
MW251.37 g/mol
LogP3.49
Rot. Bonds10

About 3-undecylpyrrole-2,5-dione

3-undecylpyrrole-2,5-dione (PubChem CID 21396932) has the molecular formula C15H25NO2 and a molecular weight of 251.37 g/mol. Its IUPAC name is 3-undecylpyrrole-2,5-dione.

Molecular Properties

Compound Name3-undecylpyrrole-2,5-dione
PubChem CID21396932
Molecular FormulaC15H25NO2
Molecular Weight251.37 g/mol
Exact Mass251.19
IUPAC Name3-undecylpyrrole-2,5-dione
SMILESCCCCCCCCCCCC1=CC(=O)NC1=O
InChIInChI=1S/C15H25NO2/c1-2-3-4-5-6-7-8-9-10-11-13-12-14(17)16-15(13)18/h12H,2-11H2,1H3,(H,16,17,18)
InChIKeyAIDMZXDPDDYOKL-UHFFFAOYSA-N
XLogP3.49
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.37
LogP ≤ 53.49
H-Bond Donors ≤ 51
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 3-undecylpyrrole-2,5-dione?
The IUPAC name of 3-undecylpyrrole-2,5-dione (CID 21396932) is 3-undecylpyrrole-2,5-dione.
What is the SMILES notation for 3-undecylpyrrole-2,5-dione?
The canonical SMILES for 3-undecylpyrrole-2,5-dione is CCCCCCCCCCCC1=CC(=O)NC1=O.
What is the InChIKey of 3-undecylpyrrole-2,5-dione?
The InChIKey is AIDMZXDPDDYOKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25NO2/c1-2-3-4-5-6-7-8-9-10-11-13-12-14(17)16-15(13)18/h12H,2-11H2,1H3,(H,16,17,18).
What are the key properties of 3-undecylpyrrole-2,5-dione?
3-undecylpyrrole-2,5-dione has a molecular weight of 251.37 g/mol, XLogP of 3.49, 10 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-undecylpyrrole-2,5-dione is sourced from PubChem (CID 21396932), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).