1-O-ethyl 2-O-undec-10-enyl pyrrolidine-1,2-dicarboxylate

C19H33NO4 — CID 6423136

IUPAC1-O-ethyl 2-O-undec-10-enyl pyrrolidine-1,2-dicarboxylate
SMILESC=CCCCCCCCCCOC(=O)C1CCCN1C(=O)OCC
InChIInChI=1S/C19H33NO4/c1-3-5-6-7-8-9-10-11-12-16-24-18(21)17-14-13-15-20(17)19(22)23-4-2/h3,17H,1,4-16H2,2H3
InChIKeyPKVZAIWIQQRYSJ-UHFFFAOYSA-N
MW339.48 g/mol
LogP4.46
Rot. Bonds12

About 1-O-ethyl 2-O-undec-10-enyl pyrrolidine-1,2-dicarboxylate

1-O-ethyl 2-O-undec-10-enyl pyrrolidine-1,2-dicarboxylate (PubChem CID 6423136) has the molecular formula C19H33NO4 and a molecular weight of 339.48 g/mol. Its IUPAC name is 1-O-ethyl 2-O-undec-10-enyl pyrrolidine-1,2-dicarboxylate.

Molecular Properties

Compound Name1-O-ethyl 2-O-undec-10-enyl pyrrolidine-1,2-dicarboxylate
PubChem CID6423136
Molecular FormulaC19H33NO4
Molecular Weight339.48 g/mol
Exact Mass339.24
IUPAC Name1-O-ethyl 2-O-undec-10-enyl pyrrolidine-1,2-dicarboxylate
SMILESC=CCCCCCCCCCOC(=O)C1CCCN1C(=O)OCC
InChIInChI=1S/C19H33NO4/c1-3-5-6-7-8-9-10-11-12-16-24-18(21)17-14-13-15-20(17)19(22)23-4-2/h3,17H,1,4-16H2,2H3
InChIKeyPKVZAIWIQQRYSJ-UHFFFAOYSA-N
XLogP4.46
TPSA55.84 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds12
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.48
LogP ≤ 54.46
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'}

Analyze 1-O-ethyl 2-O-undec-10-enyl pyrrolidine-1,2-dicarboxylate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-O-ethyl 2-O-undec-10-enyl pyrrolidine-1,2-dicarboxylate?
The IUPAC name of 1-O-ethyl 2-O-undec-10-enyl pyrrolidine-1,2-dicarboxylate (CID 6423136) is 1-O-ethyl 2-O-undec-10-enyl pyrrolidine-1,2-dicarboxylate.
What is the SMILES notation for 1-O-ethyl 2-O-undec-10-enyl pyrrolidine-1,2-dicarboxylate?
The canonical SMILES for 1-O-ethyl 2-O-undec-10-enyl pyrrolidine-1,2-dicarboxylate is C=CCCCCCCCCCOC(=O)C1CCCN1C(=O)OCC.
What is the InChIKey of 1-O-ethyl 2-O-undec-10-enyl pyrrolidine-1,2-dicarboxylate?
The InChIKey is PKVZAIWIQQRYSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H33NO4/c1-3-5-6-7-8-9-10-11-12-16-24-18(21)17-14-13-15-20(17)19(22)23-4-2/h3,17H,1,4-16H2,2H3.
What are the key properties of 1-O-ethyl 2-O-undec-10-enyl pyrrolidine-1,2-dicarboxylate?
1-O-ethyl 2-O-undec-10-enyl pyrrolidine-1,2-dicarboxylate has a molecular weight of 339.48 g/mol, XLogP of 4.46, 12 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-O-ethyl 2-O-undec-10-enyl pyrrolidine-1,2-dicarboxylate is sourced from PubChem (CID 6423136), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).