1-decylpyrrole-2,5-dione

C14H23NO2 — CID 512830

IUPAC1-decylpyrrole-2,5-dione
SMILESCCCCCCCCCCN1C(=O)C=CC1=O
InChIInChI=1S/C14H23NO2/c1-2-3-4-5-6-7-8-9-12-15-13(16)10-11-14(15)17/h10-11H,2-9,12H2,1H3
InChIKeyPZQWVKKXPIZFHC-UHFFFAOYSA-N
MW237.34 g/mol
LogP3.05
Rot. Bonds9

About 1-decylpyrrole-2,5-dione

1-decylpyrrole-2,5-dione (PubChem CID 512830) has the molecular formula C14H23NO2 and a molecular weight of 237.34 g/mol. Its IUPAC name is 1-decylpyrrole-2,5-dione.

Molecular Properties

Compound Name1-decylpyrrole-2,5-dione
PubChem CID512830
Molecular FormulaC14H23NO2
Molecular Weight237.34 g/mol
Exact Mass237.17
IUPAC Name1-decylpyrrole-2,5-dione
SMILESCCCCCCCCCCN1C(=O)C=CC1=O
InChIInChI=1S/C14H23NO2/c1-2-3-4-5-6-7-8-9-12-15-13(16)10-11-14(15)17/h10-11H,2-9,12H2,1H3
InChIKeyPZQWVKKXPIZFHC-UHFFFAOYSA-N
XLogP3.05
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds9
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-decylpyrrole-2,5-dione?
The IUPAC name of 1-decylpyrrole-2,5-dione (CID 512830) is 1-decylpyrrole-2,5-dione.
What is the SMILES notation for 1-decylpyrrole-2,5-dione?
The canonical SMILES for 1-decylpyrrole-2,5-dione is CCCCCCCCCCN1C(=O)C=CC1=O.
What is the InChIKey of 1-decylpyrrole-2,5-dione?
The InChIKey is PZQWVKKXPIZFHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23NO2/c1-2-3-4-5-6-7-8-9-12-15-13(16)10-11-14(15)17/h10-11H,2-9,12H2,1H3.
What are the key properties of 1-decylpyrrole-2,5-dione?
1-decylpyrrole-2,5-dione has a molecular weight of 237.34 g/mol, XLogP of 3.05, 9 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-decylpyrrole-2,5-dione is sourced from PubChem (CID 512830), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).