3-ethyl-4-pentylpyrrole-2,5-dione

C11H17NO2 — CID 23130168

IUPAC3-ethyl-4-pentylpyrrole-2,5-dione
SMILESCCCCCC1=C(CC)C(=O)NC1=O
InChIInChI=1S/C11H17NO2/c1-3-5-6-7-9-8(4-2)10(13)12-11(9)14/h3-7H2,1-2H3,(H,12,13,14)
InChIKeyHHSIEBWEWJHYID-UHFFFAOYSA-N
MW195.26 g/mol
LogP1.93
Rot. Bonds5

About 3-ethyl-4-pentylpyrrole-2,5-dione

3-ethyl-4-pentylpyrrole-2,5-dione (PubChem CID 23130168) has the molecular formula C11H17NO2 and a molecular weight of 195.26 g/mol. Its IUPAC name is 3-ethyl-4-pentylpyrrole-2,5-dione.

Molecular Properties

Compound Name3-ethyl-4-pentylpyrrole-2,5-dione
PubChem CID23130168
Molecular FormulaC11H17NO2
Molecular Weight195.26 g/mol
Exact Mass195.13
IUPAC Name3-ethyl-4-pentylpyrrole-2,5-dione
SMILESCCCCCC1=C(CC)C(=O)NC1=O
InChIInChI=1S/C11H17NO2/c1-3-5-6-7-9-8(4-2)10(13)12-11(9)14/h3-7H2,1-2H3,(H,12,13,14)
InChIKeyHHSIEBWEWJHYID-UHFFFAOYSA-N
XLogP1.93
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.26
LogP ≤ 51.93
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-ethyl-4-pentylpyrrole-2,5-dione?
The IUPAC name of 3-ethyl-4-pentylpyrrole-2,5-dione (CID 23130168) is 3-ethyl-4-pentylpyrrole-2,5-dione.
What is the SMILES notation for 3-ethyl-4-pentylpyrrole-2,5-dione?
The canonical SMILES for 3-ethyl-4-pentylpyrrole-2,5-dione is CCCCCC1=C(CC)C(=O)NC1=O.
What is the InChIKey of 3-ethyl-4-pentylpyrrole-2,5-dione?
The InChIKey is HHSIEBWEWJHYID-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17NO2/c1-3-5-6-7-9-8(4-2)10(13)12-11(9)14/h3-7H2,1-2H3,(H,12,13,14).
What are the key properties of 3-ethyl-4-pentylpyrrole-2,5-dione?
3-ethyl-4-pentylpyrrole-2,5-dione has a molecular weight of 195.26 g/mol, XLogP of 1.93, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-4-pentylpyrrole-2,5-dione is sourced from PubChem (CID 23130168), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).