3,4-dipentylpyrrole-2,5-dione

C14H23NO2 — CID 66706339

IUPAC3,4-dipentylpyrrole-2,5-dione
SMILESCCCCCC1=C(CCCCC)C(=O)NC1=O
InChIInChI=1S/C14H23NO2/c1-3-5-7-9-11-12(10-8-6-4-2)14(17)15-13(11)16/h3-10H2,1-2H3,(H,15,16,17)
InChIKeyMSDNCLXBDBRUOX-UHFFFAOYSA-N
MW237.34 g/mol
LogP3.10
Rot. Bonds8

About 3,4-dipentylpyrrole-2,5-dione

3,4-dipentylpyrrole-2,5-dione (PubChem CID 66706339) has the molecular formula C14H23NO2 and a molecular weight of 237.34 g/mol. Its IUPAC name is 3,4-dipentylpyrrole-2,5-dione.

Molecular Properties

Compound Name3,4-dipentylpyrrole-2,5-dione
PubChem CID66706339
Molecular FormulaC14H23NO2
Molecular Weight237.34 g/mol
Exact Mass237.17
IUPAC Name3,4-dipentylpyrrole-2,5-dione
SMILESCCCCCC1=C(CCCCC)C(=O)NC1=O
InChIInChI=1S/C14H23NO2/c1-3-5-7-9-11-12(10-8-6-4-2)14(17)15-13(11)16/h3-10H2,1-2H3,(H,15,16,17)
InChIKeyMSDNCLXBDBRUOX-UHFFFAOYSA-N
XLogP3.10
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.34
LogP ≤ 53.10
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 3,4-dipentylpyrrole-2,5-dione?
The IUPAC name of 3,4-dipentylpyrrole-2,5-dione (CID 66706339) is 3,4-dipentylpyrrole-2,5-dione.
What is the SMILES notation for 3,4-dipentylpyrrole-2,5-dione?
The canonical SMILES for 3,4-dipentylpyrrole-2,5-dione is CCCCCC1=C(CCCCC)C(=O)NC1=O.
What is the InChIKey of 3,4-dipentylpyrrole-2,5-dione?
The InChIKey is MSDNCLXBDBRUOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23NO2/c1-3-5-7-9-11-12(10-8-6-4-2)14(17)15-13(11)16/h3-10H2,1-2H3,(H,15,16,17).
What are the key properties of 3,4-dipentylpyrrole-2,5-dione?
3,4-dipentylpyrrole-2,5-dione has a molecular weight of 237.34 g/mol, XLogP of 3.10, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-dipentylpyrrole-2,5-dione is sourced from PubChem (CID 66706339), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).