4-[(Z)-prop-1-enyl]pyrrolidine-2-carboxylic acid;2,2,2-trifluoroacetic acid

C10H14F3NO4 — CID 172831343

IUPAC4-[(Z)-prop-1-enyl]pyrrolidine-2-carboxylic acid;2,2,2-trifluoroacetic acid
SMILESC/C=C\C1CNC(C(=O)O)C1.O=C(O)C(F)(F)F
InChIInChI=1S/C8H13NO2.C2HF3O2/c1-2-3-6-4-7(8(10)11)9-5-6;3-2(4,5)1(6)7/h2-3,6-7,9H,4-5H2,1H3,(H,10,11);(H,6,7)/b3-2-;
InChIKeyVNZQYFOVJATMDW-OLGQORCHSA-N
MW269.22 g/mol
LogP1.26
Rot. Bonds2

About 4-[(Z)-prop-1-enyl]pyrrolidine-2-carboxylic acid;2,2,2-trifluoroacetic acid

4-[(Z)-prop-1-enyl]pyrrolidine-2-carboxylic acid;2,2,2-trifluoroacetic acid (PubChem CID 172831343) has the molecular formula C10H14F3NO4 and a molecular weight of 269.22 g/mol. Its IUPAC name is 4-[(Z)-prop-1-enyl]pyrrolidine-2-carboxylic acid;2,2,2-trifluoroacetic acid.

Molecular Properties

Compound Name4-[(Z)-prop-1-enyl]pyrrolidine-2-carboxylic acid;2,2,2-trifluoroacetic acid
PubChem CID172831343
Molecular FormulaC10H14F3NO4
Molecular Weight269.22 g/mol
Exact Mass269.09
IUPAC Name4-[(Z)-prop-1-enyl]pyrrolidine-2-carboxylic acid;2,2,2-trifluoroacetic acid
SMILESC/C=C\C1CNC(C(=O)O)C1.O=C(O)C(F)(F)F
InChIInChI=1S/C8H13NO2.C2HF3O2/c1-2-3-6-4-7(8(10)11)9-5-6;3-2(4,5)1(6)7/h2-3,6-7,9H,4-5H2,1H3,(H,10,11);(H,6,7)/b3-2-;
InChIKeyVNZQYFOVJATMDW-OLGQORCHSA-N
XLogP1.26
TPSA86.63 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.22
LogP ≤ 51.26
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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 4-[(Z)-prop-1-enyl]pyrrolidine-2-carboxylic acid;2,2,2-trifluoroacetic acid?
The IUPAC name of 4-[(Z)-prop-1-enyl]pyrrolidine-2-carboxylic acid;2,2,2-trifluoroacetic acid (CID 172831343) is 4-[(Z)-prop-1-enyl]pyrrolidine-2-carboxylic acid;2,2,2-trifluoroacetic acid.
What is the SMILES notation for 4-[(Z)-prop-1-enyl]pyrrolidine-2-carboxylic acid;2,2,2-trifluoroacetic acid?
The canonical SMILES for 4-[(Z)-prop-1-enyl]pyrrolidine-2-carboxylic acid;2,2,2-trifluoroacetic acid is C/C=C\C1CNC(C(=O)O)C1.O=C(O)C(F)(F)F.
What is the InChIKey of 4-[(Z)-prop-1-enyl]pyrrolidine-2-carboxylic acid;2,2,2-trifluoroacetic acid?
The InChIKey is VNZQYFOVJATMDW-OLGQORCHSA-N. The full InChI is InChI=1S/C8H13NO2.C2HF3O2/c1-2-3-6-4-7(8(10)11)9-5-6;3-2(4,5)1(6)7/h2-3,6-7,9H,4-5H2,1H3,(H,10,11);(H,6,7)/b3-2-;.
What are the key properties of 4-[(Z)-prop-1-enyl]pyrrolidine-2-carboxylic acid;2,2,2-trifluoroacetic acid?
4-[(Z)-prop-1-enyl]pyrrolidine-2-carboxylic acid;2,2,2-trifluoroacetic acid has a molecular weight of 269.22 g/mol, XLogP of 1.26, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(Z)-prop-1-enyl]pyrrolidine-2-carboxylic acid;2,2,2-trifluoroacetic acid is sourced from PubChem (CID 172831343), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).