3-tridecan-6-ylpyrrole-2,5-dione

C17H29NO2 — CID 130388553

IUPAC3-tridecan-6-ylpyrrole-2,5-dione
SMILESCCCCCCCC(CCCCC)C1=CC(=O)NC1=O
InChIInChI=1S/C17H29NO2/c1-3-5-7-8-10-12-14(11-9-6-4-2)15-13-16(19)18-17(15)20/h13-14H,3-12H2,1-2H3,(H,18,19,20)
InChIKeyIVSXKWREDSGRCN-UHFFFAOYSA-N
MW279.42 g/mol
LogP4.13
Rot. Bonds11

About 3-tridecan-6-ylpyrrole-2,5-dione

3-tridecan-6-ylpyrrole-2,5-dione (PubChem CID 130388553) has the molecular formula C17H29NO2 and a molecular weight of 279.42 g/mol. Its IUPAC name is 3-tridecan-6-ylpyrrole-2,5-dione.

Molecular Properties

Compound Name3-tridecan-6-ylpyrrole-2,5-dione
PubChem CID130388553
Molecular FormulaC17H29NO2
Molecular Weight279.42 g/mol
Exact Mass279.22
IUPAC Name3-tridecan-6-ylpyrrole-2,5-dione
SMILESCCCCCCCC(CCCCC)C1=CC(=O)NC1=O
InChIInChI=1S/C17H29NO2/c1-3-5-7-8-10-12-14(11-9-6-4-2)15-13-16(19)18-17(15)20/h13-14H,3-12H2,1-2H3,(H,18,19,20)
InChIKeyIVSXKWREDSGRCN-UHFFFAOYSA-N
XLogP4.13
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds11
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.42
LogP ≤ 54.13
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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Related Compounds

(3S)-4-acetyl-3-(3-methylbutanoyl)-3H-pyridine-2,6-dione
CID 163019267
3-Octadecylpyrrole-2,5-dione
CID 19810759
Cyclohexylmaleimide
CID 19810763
Octylmaleimide
CID 21880496
Hexylmaleimide
CID 21880509
Hexamethylene-bis-maleimide
CID 22989081
4-Acetyl-3-(3-methylbutanoyl)pyridine-2,6(1h,3h)-dione
CID 290481
N-tert-butyl-5-methyl-7-propan-2-ylbicyclo[2.2.2]octa-2,5-diene-2-carboxamide
CID 132562388
(4S)-N-tert-butyl-5-methyl-7-propan-2-ylbicyclo[2.2.2]octa-2,5-diene-2-carboxamide
CID 134938911
5-methyl-N-(2-methylbutan-2-yl)-7-propan-2-ylbicyclo[2.2.2]octa-2,5-diene-2-carboxamide
CID 146167014
N-[2-(5-butanoyl-6-fluoro-6,7-dihydro-1H-inden-2-yl)propanoyl]butanamide
CID 143989196
3-Methyl-4-(5,9,13-trimethyltetradecyl)-1H-pyrrole-2,5-dione
CID 558334

Frequently Asked Questions

What is the IUPAC name of 3-tridecan-6-ylpyrrole-2,5-dione?
The IUPAC name of 3-tridecan-6-ylpyrrole-2,5-dione (CID 130388553) is 3-tridecan-6-ylpyrrole-2,5-dione.
What is the SMILES notation for 3-tridecan-6-ylpyrrole-2,5-dione?
The canonical SMILES for 3-tridecan-6-ylpyrrole-2,5-dione is CCCCCCCC(CCCCC)C1=CC(=O)NC1=O.
What is the InChIKey of 3-tridecan-6-ylpyrrole-2,5-dione?
The InChIKey is IVSXKWREDSGRCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H29NO2/c1-3-5-7-8-10-12-14(11-9-6-4-2)15-13-16(19)18-17(15)20/h13-14H,3-12H2,1-2H3,(H,18,19,20).
What are the key properties of 3-tridecan-6-ylpyrrole-2,5-dione?
3-tridecan-6-ylpyrrole-2,5-dione has a molecular weight of 279.42 g/mol, XLogP of 4.13, 11 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-tridecan-6-ylpyrrole-2,5-dione is sourced from PubChem (CID 130388553), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).