2-O-decyl 1-O-prop-2-enyl pyrrolidine-1,2-dicarboxylate

C19H33NO4 — CID 6424268

IUPAC2-O-decyl 1-O-prop-2-enyl pyrrolidine-1,2-dicarboxylate
SMILESC=CCOC(=O)N1CCCC1C(=O)OCCCCCCCCCC
InChIInChI=1S/C19H33NO4/c1-3-5-6-7-8-9-10-11-16-23-18(21)17-13-12-14-20(17)19(22)24-15-4-2/h4,17H,2-3,5-16H2,1H3
InChIKeyOLJMBPQLESIYAK-UHFFFAOYSA-N
MW339.48 g/mol
LogP4.46
Rot. Bonds12

About 2-O-decyl 1-O-prop-2-enyl pyrrolidine-1,2-dicarboxylate

2-O-decyl 1-O-prop-2-enyl pyrrolidine-1,2-dicarboxylate (PubChem CID 6424268) has the molecular formula C19H33NO4 and a molecular weight of 339.48 g/mol. Its IUPAC name is 2-O-decyl 1-O-prop-2-enyl pyrrolidine-1,2-dicarboxylate.

Molecular Properties

Compound Name2-O-decyl 1-O-prop-2-enyl pyrrolidine-1,2-dicarboxylate
PubChem CID6424268
Molecular FormulaC19H33NO4
Molecular Weight339.48 g/mol
Exact Mass339.24
IUPAC Name2-O-decyl 1-O-prop-2-enyl pyrrolidine-1,2-dicarboxylate
SMILESC=CCOC(=O)N1CCCC1C(=O)OCCCCCCCCCC
InChIInChI=1S/C19H33NO4/c1-3-5-6-7-8-9-10-11-16-23-18(21)17-13-12-14-20(17)19(22)24-15-4-2/h4,17H,2-3,5-16H2,1H3
InChIKeyOLJMBPQLESIYAK-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'}

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Frequently Asked Questions

What is the IUPAC name of 2-O-decyl 1-O-prop-2-enyl pyrrolidine-1,2-dicarboxylate?
The IUPAC name of 2-O-decyl 1-O-prop-2-enyl pyrrolidine-1,2-dicarboxylate (CID 6424268) is 2-O-decyl 1-O-prop-2-enyl pyrrolidine-1,2-dicarboxylate.
What is the SMILES notation for 2-O-decyl 1-O-prop-2-enyl pyrrolidine-1,2-dicarboxylate?
The canonical SMILES for 2-O-decyl 1-O-prop-2-enyl pyrrolidine-1,2-dicarboxylate is C=CCOC(=O)N1CCCC1C(=O)OCCCCCCCCCC.
What is the InChIKey of 2-O-decyl 1-O-prop-2-enyl pyrrolidine-1,2-dicarboxylate?
The InChIKey is OLJMBPQLESIYAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H33NO4/c1-3-5-6-7-8-9-10-11-16-23-18(21)17-13-12-14-20(17)19(22)24-15-4-2/h4,17H,2-3,5-16H2,1H3.
What are the key properties of 2-O-decyl 1-O-prop-2-enyl pyrrolidine-1,2-dicarboxylate?
2-O-decyl 1-O-prop-2-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 2-O-decyl 1-O-prop-2-enyl pyrrolidine-1,2-dicarboxylate is sourced from PubChem (CID 6424268), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).