1-methyl-3-(2,4,4,6,6,8,8,10,10-nonamethylundec-1-en-3-yl)pyrrolidine-2,5-dione

C25H45NO2 — CID 59263699

IUPAC1-methyl-3-(2,4,4,6,6,8,8,10,10-nonamethylundec-1-en-3-yl)pyrrolidine-2,5-dione
SMILESC=C(C)C(C1CC(=O)N(C)C1=O)C(C)(C)CC(C)(C)CC(C)(C)CC(C)(C)C
InChIInChI=1S/C25H45NO2/c1-17(2)20(18-13-19(27)26(12)21(18)28)25(10,11)16-24(8,9)15-23(6,7)14-22(3,4)5/h18,20H,1,13-16H2,2-12H3
InChIKeyIHXMHCSNFHJJJZ-UHFFFAOYSA-N
MW391.64 g/mol
LogP6.48
Rot. Bonds8

About 1-methyl-3-(2,4,4,6,6,8,8,10,10-nonamethylundec-1-en-3-yl)pyrrolidine-2,5-dione

1-methyl-3-(2,4,4,6,6,8,8,10,10-nonamethylundec-1-en-3-yl)pyrrolidine-2,5-dione (PubChem CID 59263699) has the molecular formula C25H45NO2 and a molecular weight of 391.64 g/mol. Its IUPAC name is 1-methyl-3-(2,4,4,6,6,8,8,10,10-nonamethylundec-1-en-3-yl)pyrrolidine-2,5-dione.

Molecular Properties

Compound Name1-methyl-3-(2,4,4,6,6,8,8,10,10-nonamethylundec-1-en-3-yl)pyrrolidine-2,5-dione
PubChem CID59263699
Molecular FormulaC25H45NO2
Molecular Weight391.64 g/mol
Exact Mass391.35
IUPAC Name1-methyl-3-(2,4,4,6,6,8,8,10,10-nonamethylundec-1-en-3-yl)pyrrolidine-2,5-dione
SMILESC=C(C)C(C1CC(=O)N(C)C1=O)C(C)(C)CC(C)(C)CC(C)(C)CC(C)(C)C
InChIInChI=1S/C25H45NO2/c1-17(2)20(18-13-19(27)26(12)21(18)28)25(10,11)16-24(8,9)15-23(6,7)14-22(3,4)5/h18,20H,1,13-16H2,2-12H3
InChIKeyIHXMHCSNFHJJJZ-UHFFFAOYSA-N
XLogP6.48
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500391.64
LogP ≤ 56.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'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-methyl-3-(2,4,4,6,6,8,8,10,10-nonamethylundec-1-en-3-yl)pyrrolidine-2,5-dione?
The IUPAC name of 1-methyl-3-(2,4,4,6,6,8,8,10,10-nonamethylundec-1-en-3-yl)pyrrolidine-2,5-dione (CID 59263699) is 1-methyl-3-(2,4,4,6,6,8,8,10,10-nonamethylundec-1-en-3-yl)pyrrolidine-2,5-dione.
What is the SMILES notation for 1-methyl-3-(2,4,4,6,6,8,8,10,10-nonamethylundec-1-en-3-yl)pyrrolidine-2,5-dione?
The canonical SMILES for 1-methyl-3-(2,4,4,6,6,8,8,10,10-nonamethylundec-1-en-3-yl)pyrrolidine-2,5-dione is C=C(C)C(C1CC(=O)N(C)C1=O)C(C)(C)CC(C)(C)CC(C)(C)CC(C)(C)C.
What is the InChIKey of 1-methyl-3-(2,4,4,6,6,8,8,10,10-nonamethylundec-1-en-3-yl)pyrrolidine-2,5-dione?
The InChIKey is IHXMHCSNFHJJJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H45NO2/c1-17(2)20(18-13-19(27)26(12)21(18)28)25(10,11)16-24(8,9)15-23(6,7)14-22(3,4)5/h18,20H,1,13-16H2,2-12H3.
What are the key properties of 1-methyl-3-(2,4,4,6,6,8,8,10,10-nonamethylundec-1-en-3-yl)pyrrolidine-2,5-dione?
1-methyl-3-(2,4,4,6,6,8,8,10,10-nonamethylundec-1-en-3-yl)pyrrolidine-2,5-dione has a molecular weight of 391.64 g/mol, XLogP of 6.48, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-3-(2,4,4,6,6,8,8,10,10-nonamethylundec-1-en-3-yl)pyrrolidine-2,5-dione is sourced from PubChem (CID 59263699), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).