1-icosa-5,8,11,14-tetraenylpyrrole-2,5-dione

C24H35NO2 — CID 53394531

IUPAC1-icosa-5,8,11,14-tetraenylpyrrole-2,5-dione
SMILESCCCCCC=CCC=CCC=CCC=CCCCCN1C(=O)C=CC1=O
InChIInChI=1S/C24H35NO2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-22-25-23(26)20-21-24(25)27/h6-7,9-10,12-13,15-16,20-21H,2-5,8,11,14,17-19,22H2,1H3
InChIKeyGZNZRHSGGQUYAP-UHFFFAOYSA-N
MW369.55 g/mol
LogP6.06
Rot. Bonds15

About 1-icosa-5,8,11,14-tetraenylpyrrole-2,5-dione

1-icosa-5,8,11,14-tetraenylpyrrole-2,5-dione (PubChem CID 53394531) has the molecular formula C24H35NO2 and a molecular weight of 369.55 g/mol. Its IUPAC name is 1-icosa-5,8,11,14-tetraenylpyrrole-2,5-dione.

Molecular Properties

Compound Name1-icosa-5,8,11,14-tetraenylpyrrole-2,5-dione
PubChem CID53394531
Molecular FormulaC24H35NO2
Molecular Weight369.55 g/mol
Exact Mass369.27
IUPAC Name1-icosa-5,8,11,14-tetraenylpyrrole-2,5-dione
SMILESCCCCCC=CCC=CCC=CCC=CCCCCN1C(=O)C=CC1=O
InChIInChI=1S/C24H35NO2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-22-25-23(26)20-21-24(25)27/h6-7,9-10,12-13,15-16,20-21H,2-5,8,11,14,17-19,22H2,1H3
InChIKeyGZNZRHSGGQUYAP-UHFFFAOYSA-N
XLogP6.06
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds15
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500369.55
LogP ≤ 56.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'phthalimide', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-icosa-5,8,11,14-tetraenylpyrrole-2,5-dione?
The IUPAC name of 1-icosa-5,8,11,14-tetraenylpyrrole-2,5-dione (CID 53394531) is 1-icosa-5,8,11,14-tetraenylpyrrole-2,5-dione.
What is the SMILES notation for 1-icosa-5,8,11,14-tetraenylpyrrole-2,5-dione?
The canonical SMILES for 1-icosa-5,8,11,14-tetraenylpyrrole-2,5-dione is CCCCCC=CCC=CCC=CCC=CCCCCN1C(=O)C=CC1=O.
What is the InChIKey of 1-icosa-5,8,11,14-tetraenylpyrrole-2,5-dione?
The InChIKey is GZNZRHSGGQUYAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H35NO2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-22-25-23(26)20-21-24(25)27/h6-7,9-10,12-13,15-16,20-21H,2-5,8,11,14,17-19,22H2,1H3.
What are the key properties of 1-icosa-5,8,11,14-tetraenylpyrrole-2,5-dione?
1-icosa-5,8,11,14-tetraenylpyrrole-2,5-dione has a molecular weight of 369.55 g/mol, XLogP of 6.06, 15 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-icosa-5,8,11,14-tetraenylpyrrole-2,5-dione is sourced from PubChem (CID 53394531), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).