(2,5-dioxopyrrolidin-1-yl) (Z)-tetracos-15-enoate

C28H49NO4 — CID 45040426

IUPAC(2,5-dioxopyrrolidin-1-yl) (Z)-tetracos-15-enoate
SMILESCCCCCCCC/C=C\CCCCCCCCCCCCCC(=O)ON1C(=O)CCC1=O
InChIInChI=1S/C28H49NO4/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-28(32)33-29-26(30)24-25-27(29)31/h9-10H,2-8,11-25H2,1H3/b10-9-
InChIKeyLMDKSTRSSZZWDK-KTKRTIGZSA-N
MW463.70 g/mol
LogP7.97
Rot. Bonds22

About (2,5-dioxopyrrolidin-1-yl) (Z)-tetracos-15-enoate

(2,5-dioxopyrrolidin-1-yl) (Z)-tetracos-15-enoate (PubChem CID 45040426) has the molecular formula C28H49NO4 and a molecular weight of 463.70 g/mol. Its IUPAC name is (2,5-dioxopyrrolidin-1-yl) (Z)-tetracos-15-enoate.

Molecular Properties

Compound Name(2,5-dioxopyrrolidin-1-yl) (Z)-tetracos-15-enoate
PubChem CID45040426
Molecular FormulaC28H49NO4
Molecular Weight463.70 g/mol
Exact Mass463.37
IUPAC Name(2,5-dioxopyrrolidin-1-yl) (Z)-tetracos-15-enoate
SMILESCCCCCCCC/C=C\CCCCCCCCCCCCCC(=O)ON1C(=O)CCC1=O
InChIInChI=1S/C28H49NO4/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-28(32)33-29-26(30)24-25-27(29)31/h9-10H,2-8,11-25H2,1H3/b10-9-
InChIKeyLMDKSTRSSZZWDK-KTKRTIGZSA-N
XLogP7.97
TPSA63.68 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds22
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500463.70
LogP ≤ 57.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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 (2,5-dioxopyrrolidin-1-yl) (Z)-tetracos-15-enoate?
The IUPAC name of (2,5-dioxopyrrolidin-1-yl) (Z)-tetracos-15-enoate (CID 45040426) is (2,5-dioxopyrrolidin-1-yl) (Z)-tetracos-15-enoate.
What is the SMILES notation for (2,5-dioxopyrrolidin-1-yl) (Z)-tetracos-15-enoate?
The canonical SMILES for (2,5-dioxopyrrolidin-1-yl) (Z)-tetracos-15-enoate is CCCCCCCC/C=C\CCCCCCCCCCCCCC(=O)ON1C(=O)CCC1=O.
What is the InChIKey of (2,5-dioxopyrrolidin-1-yl) (Z)-tetracos-15-enoate?
The InChIKey is LMDKSTRSSZZWDK-KTKRTIGZSA-N. The full InChI is InChI=1S/C28H49NO4/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-28(32)33-29-26(30)24-25-27(29)31/h9-10H,2-8,11-25H2,1H3/b10-9-.
What are the key properties of (2,5-dioxopyrrolidin-1-yl) (Z)-tetracos-15-enoate?
(2,5-dioxopyrrolidin-1-yl) (Z)-tetracos-15-enoate has a molecular weight of 463.70 g/mol, XLogP of 7.97, 22 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2,5-dioxopyrrolidin-1-yl) (Z)-tetracos-15-enoate is sourced from PubChem (CID 45040426), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).