1-(4-methyldodecyl)pyrrole-2,5-dione

C17H29NO2 — CID 70003100

IUPAC1-(4-methyldodecyl)pyrrole-2,5-dione
SMILESCCCCCCCCC(C)CCCN1C(=O)C=CC1=O
InChIInChI=1S/C17H29NO2/c1-3-4-5-6-7-8-10-15(2)11-9-14-18-16(19)12-13-17(18)20/h12-13,15H,3-11,14H2,1-2H3
InChIKeyTZGXNSAHMNUPST-UHFFFAOYSA-N
MW279.42 g/mol
LogP4.08
Rot. Bonds11

About 1-(4-methyldodecyl)pyrrole-2,5-dione

1-(4-methyldodecyl)pyrrole-2,5-dione (PubChem CID 70003100) has the molecular formula C17H29NO2 and a molecular weight of 279.42 g/mol. Its IUPAC name is 1-(4-methyldodecyl)pyrrole-2,5-dione.

Molecular Properties

Compound Name1-(4-methyldodecyl)pyrrole-2,5-dione
PubChem CID70003100
Molecular FormulaC17H29NO2
Molecular Weight279.42 g/mol
Exact Mass279.22
IUPAC Name1-(4-methyldodecyl)pyrrole-2,5-dione
SMILESCCCCCCCCC(C)CCCN1C(=O)C=CC1=O
InChIInChI=1S/C17H29NO2/c1-3-4-5-6-7-8-10-15(2)11-9-14-18-16(19)12-13-17(18)20/h12-13,15H,3-11,14H2,1-2H3
InChIKeyTZGXNSAHMNUPST-UHFFFAOYSA-N
XLogP4.08
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds11
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.42
LogP ≤ 54.08
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'}

Analyze 1-(4-methyldodecyl)pyrrole-2,5-dione with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(9,10-dimethyloctadecyl)pyrrole-2,5-dione
CID 129182834
1-(2-methyldodecyl)pyrrole-2,5-dione
CID 129274681
1-hexadecylpyrrole-2,5-dione
CID 4526314
1-butylpyrrole-2,5-dione;silane
CID 160820729
2-[2-(2,5-dioxopyrrol-1-yl)ethyl]hexadecanoic acid
CID 54422331
2-(5-methylhexadecyl)isoindole-1,3-dione
CID 70431675
1-[6-[3-[(E)-dodec-1-enyl]-2,5-dihydroxypyrrol-1-yl]-4-methylhexyl]pyrrole-2,5-dione
CID 123300159
(6S)-6-methylnonadecane
CID 170848379
13,23-dimethylhexatriacontane
CID 6430392
15-methylhentriacontane
CID 6430031
27-methyltripentacontane
CID 91450521
8,13-dimethyloctacosane
CID 71323274

Frequently Asked Questions

What is the IUPAC name of 1-(4-methyldodecyl)pyrrole-2,5-dione?
The IUPAC name of 1-(4-methyldodecyl)pyrrole-2,5-dione (CID 70003100) is 1-(4-methyldodecyl)pyrrole-2,5-dione.
What is the SMILES notation for 1-(4-methyldodecyl)pyrrole-2,5-dione?
The canonical SMILES for 1-(4-methyldodecyl)pyrrole-2,5-dione is CCCCCCCCC(C)CCCN1C(=O)C=CC1=O.
What is the InChIKey of 1-(4-methyldodecyl)pyrrole-2,5-dione?
The InChIKey is TZGXNSAHMNUPST-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H29NO2/c1-3-4-5-6-7-8-10-15(2)11-9-14-18-16(19)12-13-17(18)20/h12-13,15H,3-11,14H2,1-2H3.
What are the key properties of 1-(4-methyldodecyl)pyrrole-2,5-dione?
1-(4-methyldodecyl)pyrrole-2,5-dione has a molecular weight of 279.42 g/mol, XLogP of 4.08, 11 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methyldodecyl)pyrrole-2,5-dione is sourced from PubChem (CID 70003100), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).