1-(2-methylnonadecan-2-yl)pyrrole-2,5-dione

C24H43NO2 — CID 139640710

IUPAC1-(2-methylnonadecan-2-yl)pyrrole-2,5-dione
SMILESCCCCCCCCCCCCCCCCCC(C)(C)N1C(=O)C=CC1=O
InChIInChI=1S/C24H43NO2/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-21-24(2,3)25-22(26)19-20-23(25)27/h19-20H,4-18,21H2,1-3H3
InChIKeyCGSJEDUHRNZBBP-UHFFFAOYSA-N
MW377.61 g/mol
LogP6.95
Rot. Bonds17

About 1-(2-methylnonadecan-2-yl)pyrrole-2,5-dione

1-(2-methylnonadecan-2-yl)pyrrole-2,5-dione (PubChem CID 139640710) has the molecular formula C24H43NO2 and a molecular weight of 377.61 g/mol. Its IUPAC name is 1-(2-methylnonadecan-2-yl)pyrrole-2,5-dione.

Molecular Properties

Compound Name1-(2-methylnonadecan-2-yl)pyrrole-2,5-dione
PubChem CID139640710
Molecular FormulaC24H43NO2
Molecular Weight377.61 g/mol
Exact Mass377.33
IUPAC Name1-(2-methylnonadecan-2-yl)pyrrole-2,5-dione
SMILESCCCCCCCCCCCCCCCCCC(C)(C)N1C(=O)C=CC1=O
InChIInChI=1S/C24H43NO2/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-21-24(2,3)25-22(26)19-20-23(25)27/h19-20H,4-18,21H2,1-3H3
InChIKeyCGSJEDUHRNZBBP-UHFFFAOYSA-N
XLogP6.95
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 ≤ 56.95
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

2-butyl-2-(2,5-dioxopyrrol-1-yl)octanoic acid
CID 140535209
1-hexadecylpyrrole-2,5-dione
CID 4526314
4-bromo-2-(2-methylpentadecan-2-yl)-1,2-thiazol-3-one
CID 20542474
1-methyl-3-(2-methyloctan-2-yl)imidazolidin-2-one
CID 166868082
2-(2-methylheptan-2-yl)-1,2-thiazol-3-one
CID 13036778
4-(2-methyloctan-2-yl)-1,2,4-triazole
CID 146620696
1-heptan-2-ylpyrrole-2,5-dione
CID 22388775
9-bromo-9-methylhenicosane
CID 155906452
N-ethyl-2-methyloctan-2-amine
CID 123477104
1-methyl-5-(7-methyltetradecan-7-yl)-1,2,4-triazole
CID 170409875
13-methyl-13-octylhentriacontane
CID 173152457
11-methyl-11-nonylhenicosane
CID 19690388

Frequently Asked Questions

What is the IUPAC name of 1-(2-methylnonadecan-2-yl)pyrrole-2,5-dione?
The IUPAC name of 1-(2-methylnonadecan-2-yl)pyrrole-2,5-dione (CID 139640710) is 1-(2-methylnonadecan-2-yl)pyrrole-2,5-dione.
What is the SMILES notation for 1-(2-methylnonadecan-2-yl)pyrrole-2,5-dione?
The canonical SMILES for 1-(2-methylnonadecan-2-yl)pyrrole-2,5-dione is CCCCCCCCCCCCCCCCCC(C)(C)N1C(=O)C=CC1=O.
What is the InChIKey of 1-(2-methylnonadecan-2-yl)pyrrole-2,5-dione?
The InChIKey is CGSJEDUHRNZBBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H43NO2/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-21-24(2,3)25-22(26)19-20-23(25)27/h19-20H,4-18,21H2,1-3H3.
What are the key properties of 1-(2-methylnonadecan-2-yl)pyrrole-2,5-dione?
1-(2-methylnonadecan-2-yl)pyrrole-2,5-dione has a molecular weight of 377.61 g/mol, XLogP of 6.95, 17 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methylnonadecan-2-yl)pyrrole-2,5-dione is sourced from PubChem (CID 139640710), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).