dec-4-enyl 5-oxopyrrolidine-2-carboxylate

C15H25NO3 — CID 54409682

IUPACdec-4-enyl 5-oxopyrrolidine-2-carboxylate
SMILESCCCCCC=CCCCOC(=O)C1CCC(=O)N1
InChIInChI=1S/C15H25NO3/c1-2-3-4-5-6-7-8-9-12-19-15(18)13-10-11-14(17)16-13/h6-7,13H,2-5,8-12H2,1H3,(H,16,17)
InChIKeyVTFOOPHCKYIVMB-UHFFFAOYSA-N
MW267.37 g/mol
LogP2.72
Rot. Bonds9

About dec-4-enyl 5-oxopyrrolidine-2-carboxylate

dec-4-enyl 5-oxopyrrolidine-2-carboxylate (PubChem CID 54409682) has the molecular formula C15H25NO3 and a molecular weight of 267.37 g/mol. Its IUPAC name is dec-4-enyl 5-oxopyrrolidine-2-carboxylate.

Molecular Properties

Compound Namedec-4-enyl 5-oxopyrrolidine-2-carboxylate
PubChem CID54409682
Molecular FormulaC15H25NO3
Molecular Weight267.37 g/mol
Exact Mass267.18
IUPAC Namedec-4-enyl 5-oxopyrrolidine-2-carboxylate
SMILESCCCCCC=CCCCOC(=O)C1CCC(=O)N1
InChIInChI=1S/C15H25NO3/c1-2-3-4-5-6-7-8-9-12-19-15(18)13-10-11-14(17)16-13/h6-7,13H,2-5,8-12H2,1H3,(H,16,17)
InChIKeyVTFOOPHCKYIVMB-UHFFFAOYSA-N
XLogP2.72
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.37
LogP ≤ 52.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of dec-4-enyl 5-oxopyrrolidine-2-carboxylate?
The IUPAC name of dec-4-enyl 5-oxopyrrolidine-2-carboxylate (CID 54409682) is dec-4-enyl 5-oxopyrrolidine-2-carboxylate.
What is the SMILES notation for dec-4-enyl 5-oxopyrrolidine-2-carboxylate?
The canonical SMILES for dec-4-enyl 5-oxopyrrolidine-2-carboxylate is CCCCCC=CCCCOC(=O)C1CCC(=O)N1.
What is the InChIKey of dec-4-enyl 5-oxopyrrolidine-2-carboxylate?
The InChIKey is VTFOOPHCKYIVMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25NO3/c1-2-3-4-5-6-7-8-9-12-19-15(18)13-10-11-14(17)16-13/h6-7,13H,2-5,8-12H2,1H3,(H,16,17).
What are the key properties of dec-4-enyl 5-oxopyrrolidine-2-carboxylate?
dec-4-enyl 5-oxopyrrolidine-2-carboxylate has a molecular weight of 267.37 g/mol, XLogP of 2.72, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for dec-4-enyl 5-oxopyrrolidine-2-carboxylate is sourced from PubChem (CID 54409682), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).