3-cyclododecyl-1-dec-9-enylpyrrolidine-2,5-dione

C26H45NO2 — CID 20565251

IUPAC3-cyclododecyl-1-dec-9-enylpyrrolidine-2,5-dione
SMILESC=CCCCCCCCCN1C(=O)CC(C2CCCCCCCCCCC2)C1=O
InChIInChI=1S/C26H45NO2/c1-2-3-4-5-6-12-15-18-21-27-25(28)22-24(26(27)29)23-19-16-13-10-8-7-9-11-14-17-20-23/h2,23-24H,1,3-22H2
InChIKeyRZBFCTLEVYGFGW-UHFFFAOYSA-N
MW403.65 g/mol
LogP7.20
Rot. Bonds10

About 3-cyclododecyl-1-dec-9-enylpyrrolidine-2,5-dione

3-cyclododecyl-1-dec-9-enylpyrrolidine-2,5-dione (PubChem CID 20565251) has the molecular formula C26H45NO2 and a molecular weight of 403.65 g/mol. Its IUPAC name is 3-cyclododecyl-1-dec-9-enylpyrrolidine-2,5-dione.

Molecular Properties

Compound Name3-cyclododecyl-1-dec-9-enylpyrrolidine-2,5-dione
PubChem CID20565251
Molecular FormulaC26H45NO2
Molecular Weight403.65 g/mol
Exact Mass403.35
IUPAC Name3-cyclododecyl-1-dec-9-enylpyrrolidine-2,5-dione
SMILESC=CCCCCCCCCN1C(=O)CC(C2CCCCCCCCCCC2)C1=O
InChIInChI=1S/C26H45NO2/c1-2-3-4-5-6-12-15-18-21-27-25(28)22-24(26(27)29)23-19-16-13-10-8-7-9-11-14-17-20-23/h2,23-24H,1,3-22H2
InChIKeyRZBFCTLEVYGFGW-UHFFFAOYSA-N
XLogP7.20
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500403.65
LogP ≤ 57.20
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 3-cyclododecyl-1-dec-9-enylpyrrolidine-2,5-dione?
The IUPAC name of 3-cyclododecyl-1-dec-9-enylpyrrolidine-2,5-dione (CID 20565251) is 3-cyclododecyl-1-dec-9-enylpyrrolidine-2,5-dione.
What is the SMILES notation for 3-cyclododecyl-1-dec-9-enylpyrrolidine-2,5-dione?
The canonical SMILES for 3-cyclododecyl-1-dec-9-enylpyrrolidine-2,5-dione is C=CCCCCCCCCN1C(=O)CC(C2CCCCCCCCCCC2)C1=O.
What is the InChIKey of 3-cyclododecyl-1-dec-9-enylpyrrolidine-2,5-dione?
The InChIKey is RZBFCTLEVYGFGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H45NO2/c1-2-3-4-5-6-12-15-18-21-27-25(28)22-24(26(27)29)23-19-16-13-10-8-7-9-11-14-17-20-23/h2,23-24H,1,3-22H2.
What are the key properties of 3-cyclododecyl-1-dec-9-enylpyrrolidine-2,5-dione?
3-cyclododecyl-1-dec-9-enylpyrrolidine-2,5-dione has a molecular weight of 403.65 g/mol, XLogP of 7.20, 10 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclododecyl-1-dec-9-enylpyrrolidine-2,5-dione is sourced from PubChem (CID 20565251), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).