1-(9,10-dimethyloctadecyl)pyrrole-2,5-dione

C24H43NO2 — CID 129182834

IUPAC1-(9,10-dimethyloctadecyl)pyrrole-2,5-dione
SMILESCCCCCCCCC(C)C(C)CCCCCCCCN1C(=O)C=CC1=O
InChIInChI=1S/C24H43NO2/c1-4-5-6-7-10-13-16-21(2)22(3)17-14-11-8-9-12-15-20-25-23(26)18-19-24(25)27/h18-19,21-22H,4-17,20H2,1-3H3
InChIKeyGDBAPGPEHVDTIG-UHFFFAOYSA-N
MW377.61 g/mol
LogP6.66
Rot. Bonds17

About 1-(9,10-dimethyloctadecyl)pyrrole-2,5-dione

1-(9,10-dimethyloctadecyl)pyrrole-2,5-dione (PubChem CID 129182834) has the molecular formula C24H43NO2 and a molecular weight of 377.61 g/mol. Its IUPAC name is 1-(9,10-dimethyloctadecyl)pyrrole-2,5-dione.

Molecular Properties

Compound Name1-(9,10-dimethyloctadecyl)pyrrole-2,5-dione
PubChem CID129182834
Molecular FormulaC24H43NO2
Molecular Weight377.61 g/mol
Exact Mass377.33
IUPAC Name1-(9,10-dimethyloctadecyl)pyrrole-2,5-dione
SMILESCCCCCCCCC(C)C(C)CCCCCCCCN1C(=O)C=CC1=O
InChIInChI=1S/C24H43NO2/c1-4-5-6-7-10-13-16-21(2)22(3)17-14-11-8-9-12-15-20-25-23(26)18-19-24(25)27/h18-19,21-22H,4-17,20H2,1-3H3
InChIKeyGDBAPGPEHVDTIG-UHFFFAOYSA-N
XLogP6.66
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds17
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500377.61
LogP ≤ 56.66
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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Related Compounds

1-hexadecylpyrrole-2,5-dione
CID 4526314
1-(4-methyldodecyl)pyrrole-2,5-dione
CID 70003100
2-[2-(2,5-dioxopyrrol-1-yl)ethyl]hexadecanoic acid
CID 54422331
1-(2-methyldodecyl)pyrrole-2,5-dione
CID 129274681
1-butylpyrrole-2,5-dione;silane
CID 160820729
1-(9-methyl-8-oxododecyl)pyrrole-2,5-dione
CID 122493730
azane;1-[7-(2,5-dioxopyrrol-1-yl)heptyl]pyrrole-2,5-dione;propan-1-amine
CID 70219860
1-[6-[[(5S)-undecan-5-yl]amino]hept-6-enyl]pyrrole-2,5-dione
CID 89021047
6-(2,5-dioxopyrrol-1-yl)-2-methylhexanamide
CID 68727226
11,12-dimethyltricosane
CID 173430605
11,12-dimethyloctacosane
CID 23345853
16,17-dimethyltritriacontane
CID 91506561

Frequently Asked Questions

What is the IUPAC name of 1-(9,10-dimethyloctadecyl)pyrrole-2,5-dione?
The IUPAC name of 1-(9,10-dimethyloctadecyl)pyrrole-2,5-dione (CID 129182834) is 1-(9,10-dimethyloctadecyl)pyrrole-2,5-dione.
What is the SMILES notation for 1-(9,10-dimethyloctadecyl)pyrrole-2,5-dione?
The canonical SMILES for 1-(9,10-dimethyloctadecyl)pyrrole-2,5-dione is CCCCCCCCC(C)C(C)CCCCCCCCN1C(=O)C=CC1=O.
What is the InChIKey of 1-(9,10-dimethyloctadecyl)pyrrole-2,5-dione?
The InChIKey is GDBAPGPEHVDTIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H43NO2/c1-4-5-6-7-10-13-16-21(2)22(3)17-14-11-8-9-12-15-20-25-23(26)18-19-24(25)27/h18-19,21-22H,4-17,20H2,1-3H3.
What are the key properties of 1-(9,10-dimethyloctadecyl)pyrrole-2,5-dione?
1-(9,10-dimethyloctadecyl)pyrrole-2,5-dione has a molecular weight of 377.61 g/mol, XLogP of 6.66, 17 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(9,10-dimethyloctadecyl)pyrrole-2,5-dione is sourced from PubChem (CID 129182834), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).