(2S,4Z)-4-(fluoromethylidene)pyrrolidine-2-carboxylic acid

C6H8FNO2 — CID 15735991

IUPAC(2S,4Z)-4-(fluoromethylidene)pyrrolidine-2-carboxylic acid
SMILESO=C(O)[C@@H]1C/C(=C/F)CN1
InChIInChI=1S/C6H8FNO2/c7-2-4-1-5(6(9)10)8-3-4/h2,5,8H,1,3H2,(H,9,10)/b4-2-/t5-/m0/s1
InChIKeyWQELYDVKHZIJHJ-PSRSYCBASA-N
MW145.13 g/mol
LogP0.29
Rot. Bonds1

About (2S,4Z)-4-(fluoromethylidene)pyrrolidine-2-carboxylic acid

(2S,4Z)-4-(fluoromethylidene)pyrrolidine-2-carboxylic acid (PubChem CID 15735991) has the molecular formula C6H8FNO2 and a molecular weight of 145.13 g/mol. Its IUPAC name is (2S,4Z)-4-(fluoromethylidene)pyrrolidine-2-carboxylic acid.

Molecular Properties

Compound Name(2S,4Z)-4-(fluoromethylidene)pyrrolidine-2-carboxylic acid
PubChem CID15735991
Molecular FormulaC6H8FNO2
Molecular Weight145.13 g/mol
Exact Mass145.05
IUPAC Name(2S,4Z)-4-(fluoromethylidene)pyrrolidine-2-carboxylic acid
SMILESO=C(O)[C@@H]1C/C(=C/F)CN1
InChIInChI=1S/C6H8FNO2/c7-2-4-1-5(6(9)10)8-3-4/h2,5,8H,1,3H2,(H,9,10)/b4-2-/t5-/m0/s1
InChIKeyWQELYDVKHZIJHJ-PSRSYCBASA-N
XLogP0.29
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500145.13
LogP ≤ 50.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (2S,4Z)-4-(fluoromethylidene)pyrrolidine-2-carboxylic acid?
The IUPAC name of (2S,4Z)-4-(fluoromethylidene)pyrrolidine-2-carboxylic acid (CID 15735991) is (2S,4Z)-4-(fluoromethylidene)pyrrolidine-2-carboxylic acid.
What is the SMILES notation for (2S,4Z)-4-(fluoromethylidene)pyrrolidine-2-carboxylic acid?
The canonical SMILES for (2S,4Z)-4-(fluoromethylidene)pyrrolidine-2-carboxylic acid is O=C(O)[C@@H]1C/C(=C/F)CN1.
What is the InChIKey of (2S,4Z)-4-(fluoromethylidene)pyrrolidine-2-carboxylic acid?
The InChIKey is WQELYDVKHZIJHJ-PSRSYCBASA-N. The full InChI is InChI=1S/C6H8FNO2/c7-2-4-1-5(6(9)10)8-3-4/h2,5,8H,1,3H2,(H,9,10)/b4-2-/t5-/m0/s1.
What are the key properties of (2S,4Z)-4-(fluoromethylidene)pyrrolidine-2-carboxylic acid?
(2S,4Z)-4-(fluoromethylidene)pyrrolidine-2-carboxylic acid has a molecular weight of 145.13 g/mol, XLogP of 0.29, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,4Z)-4-(fluoromethylidene)pyrrolidine-2-carboxylic acid is sourced from PubChem (CID 15735991), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).