1-tetradecylpyrrole-2,5-dione

C18H31NO2 — CID 5224381

IUPAC1-tetradecylpyrrole-2,5-dione
SMILESCCCCCCCCCCCCCCN1C(=O)C=CC1=O
InChIInChI=1S/C18H31NO2/c1-2-3-4-5-6-7-8-9-10-11-12-13-16-19-17(20)14-15-18(19)21/h14-15H,2-13,16H2,1H3
InChIKeyFDQMDCGTDRRHJO-UHFFFAOYSA-N
MW293.45 g/mol
LogP4.61
Rot. Bonds13

About 1-tetradecylpyrrole-2,5-dione

1-tetradecylpyrrole-2,5-dione (PubChem CID 5224381) has the molecular formula C18H31NO2 and a molecular weight of 293.45 g/mol. Its IUPAC name is 1-tetradecylpyrrole-2,5-dione.

Molecular Properties

Compound Name1-tetradecylpyrrole-2,5-dione
PubChem CID5224381
Molecular FormulaC18H31NO2
Molecular Weight293.45 g/mol
Exact Mass293.24
IUPAC Name1-tetradecylpyrrole-2,5-dione
SMILESCCCCCCCCCCCCCCN1C(=O)C=CC1=O
InChIInChI=1S/C18H31NO2/c1-2-3-4-5-6-7-8-9-10-11-12-13-16-19-17(20)14-15-18(19)21/h14-15H,2-13,16H2,1H3
InChIKeyFDQMDCGTDRRHJO-UHFFFAOYSA-N
XLogP4.61
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds13
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.45
LogP ≤ 54.61
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-tetradecylpyrrole-2,5-dione?
The IUPAC name of 1-tetradecylpyrrole-2,5-dione (CID 5224381) is 1-tetradecylpyrrole-2,5-dione.
What is the SMILES notation for 1-tetradecylpyrrole-2,5-dione?
The canonical SMILES for 1-tetradecylpyrrole-2,5-dione is CCCCCCCCCCCCCCN1C(=O)C=CC1=O.
What is the InChIKey of 1-tetradecylpyrrole-2,5-dione?
The InChIKey is FDQMDCGTDRRHJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H31NO2/c1-2-3-4-5-6-7-8-9-10-11-12-13-16-19-17(20)14-15-18(19)21/h14-15H,2-13,16H2,1H3.
What are the key properties of 1-tetradecylpyrrole-2,5-dione?
1-tetradecylpyrrole-2,5-dione has a molecular weight of 293.45 g/mol, XLogP of 4.61, 13 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-tetradecylpyrrole-2,5-dione is sourced from PubChem (CID 5224381), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).