3-methyl-4-octadecylpyrrole-2,5-dione

C23H41NO2 — CID 67586669

IUPAC3-methyl-4-octadecylpyrrole-2,5-dione
SMILESCCCCCCCCCCCCCCCCCCC1=C(C)C(=O)NC1=O
InChIInChI=1S/C23H41NO2/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-21-20(2)22(25)24-23(21)26/h3-19H2,1-2H3,(H,24,25,26)
InChIKeyLRFMRALKZHBWOF-UHFFFAOYSA-N
MW363.59 g/mol
LogP6.61
Rot. Bonds17

About 3-methyl-4-octadecylpyrrole-2,5-dione

3-methyl-4-octadecylpyrrole-2,5-dione (PubChem CID 67586669) has the molecular formula C23H41NO2 and a molecular weight of 363.59 g/mol. Its IUPAC name is 3-methyl-4-octadecylpyrrole-2,5-dione.

Molecular Properties

Compound Name3-methyl-4-octadecylpyrrole-2,5-dione
PubChem CID67586669
Molecular FormulaC23H41NO2
Molecular Weight363.59 g/mol
Exact Mass363.31
IUPAC Name3-methyl-4-octadecylpyrrole-2,5-dione
SMILESCCCCCCCCCCCCCCCCCCC1=C(C)C(=O)NC1=O
InChIInChI=1S/C23H41NO2/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-21-20(2)22(25)24-23(21)26/h3-19H2,1-2H3,(H,24,25,26)
InChIKeyLRFMRALKZHBWOF-UHFFFAOYSA-N
XLogP6.61
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds17
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500363.59
LogP ≤ 56.61
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

Tetrahydrophthalimide
CID 34024
3-Octadecylpyrrole-2,5-dione
CID 19810759
Octylmaleimide
CID 21880496
Hexylmaleimide
CID 21880509
3-methyl-4-propyl-1H-pyrrole-2,5-dione
CID 44718966
Ethylpropylmaleinimide
CID 85864657
3-Propyl-4-(1,1,2,2,3,3,4,4,5,5,6,6,6-tridecafluorohexyl)pyrrole-2,5-dione
CID 91269307
3-Ethyl-4-(1-fluorobutyl)pyrrole-2,5-dione
CID 139973193
3-Ethyl-4-(1-fluorooctyl)pyrrole-2,5-dione
CID 139973211
3-Butyl-4-methylpyrrole-2,5-dione
CID 67068202
3-Methyl-4-pentylpyrrole-2,5-dione
CID 67068208
3-Hexyl-4-methylpyrrole-2,5-dione
CID 69543568

Frequently Asked Questions

What is the IUPAC name of 3-methyl-4-octadecylpyrrole-2,5-dione?
The IUPAC name of 3-methyl-4-octadecylpyrrole-2,5-dione (CID 67586669) is 3-methyl-4-octadecylpyrrole-2,5-dione.
What is the SMILES notation for 3-methyl-4-octadecylpyrrole-2,5-dione?
The canonical SMILES for 3-methyl-4-octadecylpyrrole-2,5-dione is CCCCCCCCCCCCCCCCCCC1=C(C)C(=O)NC1=O.
What is the InChIKey of 3-methyl-4-octadecylpyrrole-2,5-dione?
The InChIKey is LRFMRALKZHBWOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H41NO2/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-21-20(2)22(25)24-23(21)26/h3-19H2,1-2H3,(H,24,25,26).
What are the key properties of 3-methyl-4-octadecylpyrrole-2,5-dione?
3-methyl-4-octadecylpyrrole-2,5-dione has a molecular weight of 363.59 g/mol, XLogP of 6.61, 17 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-4-octadecylpyrrole-2,5-dione is sourced from PubChem (CID 67586669), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).