1,3-dipentylpyrrole-2,5-dione

C14H23NO2 — CID 66706338

IUPAC1,3-dipentylpyrrole-2,5-dione
SMILESCCCCCC1=CC(=O)N(CCCCC)C1=O
InChIInChI=1S/C14H23NO2/c1-3-5-7-9-12-11-13(16)15(14(12)17)10-8-6-4-2/h11H,3-10H2,1-2H3
InChIKeyVZBQAEIIKBFJCW-UHFFFAOYSA-N
MW237.34 g/mol
LogP3.05
Rot. Bonds8

About 1,3-dipentylpyrrole-2,5-dione

1,3-dipentylpyrrole-2,5-dione (PubChem CID 66706338) has the molecular formula C14H23NO2 and a molecular weight of 237.34 g/mol. Its IUPAC name is 1,3-dipentylpyrrole-2,5-dione.

Molecular Properties

Compound Name1,3-dipentylpyrrole-2,5-dione
PubChem CID66706338
Molecular FormulaC14H23NO2
Molecular Weight237.34 g/mol
Exact Mass237.17
IUPAC Name1,3-dipentylpyrrole-2,5-dione
SMILESCCCCCC1=CC(=O)N(CCCCC)C1=O
InChIInChI=1S/C14H23NO2/c1-3-5-7-9-12-11-13(16)15(14(12)17)10-8-6-4-2/h11H,3-10H2,1-2H3
InChIKeyVZBQAEIIKBFJCW-UHFFFAOYSA-N
XLogP3.05
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.34
LogP ≤ 53.05
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 1,3-dipentylpyrrole-2,5-dione?
The IUPAC name of 1,3-dipentylpyrrole-2,5-dione (CID 66706338) is 1,3-dipentylpyrrole-2,5-dione.
What is the SMILES notation for 1,3-dipentylpyrrole-2,5-dione?
The canonical SMILES for 1,3-dipentylpyrrole-2,5-dione is CCCCCC1=CC(=O)N(CCCCC)C1=O.
What is the InChIKey of 1,3-dipentylpyrrole-2,5-dione?
The InChIKey is VZBQAEIIKBFJCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23NO2/c1-3-5-7-9-12-11-13(16)15(14(12)17)10-8-6-4-2/h11H,3-10H2,1-2H3.
What are the key properties of 1,3-dipentylpyrrole-2,5-dione?
1,3-dipentylpyrrole-2,5-dione has a molecular weight of 237.34 g/mol, XLogP of 3.05, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-dipentylpyrrole-2,5-dione is sourced from PubChem (CID 66706338), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).