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

C20H33NO4 — CID 6424269

IUPAC1-O-prop-2-enyl 2-O-undec-10-enyl pyrrolidine-1,2-dicarboxylate
SMILESC=CCCCCCCCCCOC(=O)C1CCCN1C(=O)OCC=C
InChIInChI=1S/C20H33NO4/c1-3-5-6-7-8-9-10-11-12-17-24-19(22)18-14-13-15-21(18)20(23)25-16-4-2/h3-4,18H,1-2,5-17H2
InChIKeyYXFNVMWENJDJMX-UHFFFAOYSA-N
MW351.49 g/mol
LogP4.62
Rot. Bonds13

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

1-O-prop-2-enyl 2-O-undec-10-enyl pyrrolidine-1,2-dicarboxylate (PubChem CID 6424269) has the molecular formula C20H33NO4 and a molecular weight of 351.49 g/mol. Its IUPAC name is 1-O-prop-2-enyl 2-O-undec-10-enyl pyrrolidine-1,2-dicarboxylate.

Molecular Properties

Compound Name1-O-prop-2-enyl 2-O-undec-10-enyl pyrrolidine-1,2-dicarboxylate
PubChem CID6424269
Molecular FormulaC20H33NO4
Molecular Weight351.49 g/mol
Exact Mass351.24
IUPAC Name1-O-prop-2-enyl 2-O-undec-10-enyl pyrrolidine-1,2-dicarboxylate
SMILESC=CCCCCCCCCCOC(=O)C1CCCN1C(=O)OCC=C
InChIInChI=1S/C20H33NO4/c1-3-5-6-7-8-9-10-11-12-17-24-19(22)18-14-13-15-21(18)20(23)25-16-4-2/h3-4,18H,1-2,5-17H2
InChIKeyYXFNVMWENJDJMX-UHFFFAOYSA-N
XLogP4.62
TPSA55.84 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds13
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.49
LogP ≤ 54.62
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'}

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Frequently Asked Questions

What is the IUPAC name of 1-O-prop-2-enyl 2-O-undec-10-enyl pyrrolidine-1,2-dicarboxylate?
The IUPAC name of 1-O-prop-2-enyl 2-O-undec-10-enyl pyrrolidine-1,2-dicarboxylate (CID 6424269) is 1-O-prop-2-enyl 2-O-undec-10-enyl pyrrolidine-1,2-dicarboxylate.
What is the SMILES notation for 1-O-prop-2-enyl 2-O-undec-10-enyl pyrrolidine-1,2-dicarboxylate?
The canonical SMILES for 1-O-prop-2-enyl 2-O-undec-10-enyl pyrrolidine-1,2-dicarboxylate is C=CCCCCCCCCCOC(=O)C1CCCN1C(=O)OCC=C.
What is the InChIKey of 1-O-prop-2-enyl 2-O-undec-10-enyl pyrrolidine-1,2-dicarboxylate?
The InChIKey is YXFNVMWENJDJMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H33NO4/c1-3-5-6-7-8-9-10-11-12-17-24-19(22)18-14-13-15-21(18)20(23)25-16-4-2/h3-4,18H,1-2,5-17H2.
What are the key properties of 1-O-prop-2-enyl 2-O-undec-10-enyl pyrrolidine-1,2-dicarboxylate?
1-O-prop-2-enyl 2-O-undec-10-enyl pyrrolidine-1,2-dicarboxylate has a molecular weight of 351.49 g/mol, XLogP of 4.62, 13 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-O-prop-2-enyl 2-O-undec-10-enyl pyrrolidine-1,2-dicarboxylate is sourced from PubChem (CID 6424269), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).