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

C12H19NO4 — CID 6424249

IUPAC1-O-prop-2-enyl 2-O-propyl pyrrolidine-1,2-dicarboxylate
SMILESC=CCOC(=O)N1CCCC1C(=O)OCCC
InChIInChI=1S/C12H19NO4/c1-3-8-16-11(14)10-6-5-7-13(10)12(15)17-9-4-2/h4,10H,2-3,5-9H2,1H3
InChIKeyAWNZNTDTPDGCQN-UHFFFAOYSA-N
MW241.29 g/mol
LogP1.73
Rot. Bonds5

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

1-O-prop-2-enyl 2-O-propyl pyrrolidine-1,2-dicarboxylate (PubChem CID 6424249) has the molecular formula C12H19NO4 and a molecular weight of 241.29 g/mol. Its IUPAC name is 1-O-prop-2-enyl 2-O-propyl pyrrolidine-1,2-dicarboxylate.

Molecular Properties

Compound Name1-O-prop-2-enyl 2-O-propyl pyrrolidine-1,2-dicarboxylate
PubChem CID6424249
Molecular FormulaC12H19NO4
Molecular Weight241.29 g/mol
Exact Mass241.13
IUPAC Name1-O-prop-2-enyl 2-O-propyl pyrrolidine-1,2-dicarboxylate
SMILESC=CCOC(=O)N1CCCC1C(=O)OCCC
InChIInChI=1S/C12H19NO4/c1-3-8-16-11(14)10-6-5-7-13(10)12(15)17-9-4-2/h4,10H,2-3,5-9H2,1H3
InChIKeyAWNZNTDTPDGCQN-UHFFFAOYSA-N
XLogP1.73
TPSA55.84 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.29
LogP ≤ 51.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'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-propyl pyrrolidine-1,2-dicarboxylate?
The IUPAC name of 1-O-prop-2-enyl 2-O-propyl pyrrolidine-1,2-dicarboxylate (CID 6424249) is 1-O-prop-2-enyl 2-O-propyl pyrrolidine-1,2-dicarboxylate.
What is the SMILES notation for 1-O-prop-2-enyl 2-O-propyl pyrrolidine-1,2-dicarboxylate?
The canonical SMILES for 1-O-prop-2-enyl 2-O-propyl pyrrolidine-1,2-dicarboxylate is C=CCOC(=O)N1CCCC1C(=O)OCCC.
What is the InChIKey of 1-O-prop-2-enyl 2-O-propyl pyrrolidine-1,2-dicarboxylate?
The InChIKey is AWNZNTDTPDGCQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19NO4/c1-3-8-16-11(14)10-6-5-7-13(10)12(15)17-9-4-2/h4,10H,2-3,5-9H2,1H3.
What are the key properties of 1-O-prop-2-enyl 2-O-propyl pyrrolidine-1,2-dicarboxylate?
1-O-prop-2-enyl 2-O-propyl pyrrolidine-1,2-dicarboxylate has a molecular weight of 241.29 g/mol, XLogP of 1.73, 5 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-propyl pyrrolidine-1,2-dicarboxylate is sourced from PubChem (CID 6424249), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).