carbon dioxide;pent-4-enyl 2-oxopyrrolidine-1-carboxylate

C11H15NO5 — CID 158838234

IUPACcarbon dioxide;pent-4-enyl 2-oxopyrrolidine-1-carboxylate
SMILESC=CCCCOC(=O)N1CCCC1=O.O=C=O
InChIInChI=1S/C10H15NO3.CO2/c1-2-3-4-8-14-10(13)11-7-5-6-9(11)12;2-1-3/h2H,1,3-8H2;
InChIKeyIXXDWUYPMPNEFE-UHFFFAOYSA-N
MW241.24 g/mol
LogP1.13
Rot. Bonds4

About carbon dioxide;pent-4-enyl 2-oxopyrrolidine-1-carboxylate

carbon dioxide;pent-4-enyl 2-oxopyrrolidine-1-carboxylate (PubChem CID 158838234) has the molecular formula C11H15NO5 and a molecular weight of 241.24 g/mol. Its IUPAC name is carbon dioxide;pent-4-enyl 2-oxopyrrolidine-1-carboxylate.

Molecular Properties

Compound Namecarbon dioxide;pent-4-enyl 2-oxopyrrolidine-1-carboxylate
PubChem CID158838234
Molecular FormulaC11H15NO5
Molecular Weight241.24 g/mol
Exact Mass241.10
IUPAC Namecarbon dioxide;pent-4-enyl 2-oxopyrrolidine-1-carboxylate
SMILESC=CCCCOC(=O)N1CCCC1=O.O=C=O
InChIInChI=1S/C10H15NO3.CO2/c1-2-3-4-8-14-10(13)11-7-5-6-9(11)12;2-1-3/h2H,1,3-8H2;
InChIKeyIXXDWUYPMPNEFE-UHFFFAOYSA-N
XLogP1.13
TPSA80.75 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.24
LogP ≤ 51.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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 carbon dioxide;pent-4-enyl 2-oxopyrrolidine-1-carboxylate?
The IUPAC name of carbon dioxide;pent-4-enyl 2-oxopyrrolidine-1-carboxylate (CID 158838234) is carbon dioxide;pent-4-enyl 2-oxopyrrolidine-1-carboxylate.
What is the SMILES notation for carbon dioxide;pent-4-enyl 2-oxopyrrolidine-1-carboxylate?
The canonical SMILES for carbon dioxide;pent-4-enyl 2-oxopyrrolidine-1-carboxylate is C=CCCCOC(=O)N1CCCC1=O.O=C=O.
What is the InChIKey of carbon dioxide;pent-4-enyl 2-oxopyrrolidine-1-carboxylate?
The InChIKey is IXXDWUYPMPNEFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15NO3.CO2/c1-2-3-4-8-14-10(13)11-7-5-6-9(11)12;2-1-3/h2H,1,3-8H2;.
What are the key properties of carbon dioxide;pent-4-enyl 2-oxopyrrolidine-1-carboxylate?
carbon dioxide;pent-4-enyl 2-oxopyrrolidine-1-carboxylate has a molecular weight of 241.24 g/mol, XLogP of 1.13, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for carbon dioxide;pent-4-enyl 2-oxopyrrolidine-1-carboxylate is sourced from PubChem (CID 158838234), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).