(2S,4R)-1-(cyclopentene-1-carbonyl)-4-fluoropyrrolidine-2-carboxamide

C11H15FN2O2 — CID 126783085

IUPAC(2S,4R)-1-(cyclopentene-1-carbonyl)-4-fluoropyrrolidine-2-carboxamide
SMILESNC(=O)[C@@H]1C[C@@H](F)CN1C(=O)C1=CCCC1
InChIInChI=1S/C11H15FN2O2/c12-8-5-9(10(13)15)14(6-8)11(16)7-3-1-2-4-7/h3,8-9H,1-2,4-6H2,(H2,13,15)/t8-,9+/m1/s1
InChIKeyVWYYSBUMPQAEPD-BDAKNGLRSA-N
MW226.25 g/mol
LogP0.52
Rot. Bonds2

About (2S,4R)-1-(cyclopentene-1-carbonyl)-4-fluoropyrrolidine-2-carboxamide

(2S,4R)-1-(cyclopentene-1-carbonyl)-4-fluoropyrrolidine-2-carboxamide (PubChem CID 126783085) has the molecular formula C11H15FN2O2 and a molecular weight of 226.25 g/mol. Its IUPAC name is (2S,4R)-1-(cyclopentene-1-carbonyl)-4-fluoropyrrolidine-2-carboxamide.

Molecular Properties

Compound Name(2S,4R)-1-(cyclopentene-1-carbonyl)-4-fluoropyrrolidine-2-carboxamide
PubChem CID126783085
Molecular FormulaC11H15FN2O2
Molecular Weight226.25 g/mol
Exact Mass226.11
IUPAC Name(2S,4R)-1-(cyclopentene-1-carbonyl)-4-fluoropyrrolidine-2-carboxamide
SMILESNC(=O)[C@@H]1C[C@@H](F)CN1C(=O)C1=CCCC1
InChIInChI=1S/C11H15FN2O2/c12-8-5-9(10(13)15)14(6-8)11(16)7-3-1-2-4-7/h3,8-9H,1-2,4-6H2,(H2,13,15)/t8-,9+/m1/s1
InChIKeyVWYYSBUMPQAEPD-BDAKNGLRSA-N
XLogP0.52
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.25
LogP ≤ 50.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (2S,4R)-1-(cyclopentene-1-carbonyl)-4-fluoropyrrolidine-2-carboxamide?
The IUPAC name of (2S,4R)-1-(cyclopentene-1-carbonyl)-4-fluoropyrrolidine-2-carboxamide (CID 126783085) is (2S,4R)-1-(cyclopentene-1-carbonyl)-4-fluoropyrrolidine-2-carboxamide.
What is the SMILES notation for (2S,4R)-1-(cyclopentene-1-carbonyl)-4-fluoropyrrolidine-2-carboxamide?
The canonical SMILES for (2S,4R)-1-(cyclopentene-1-carbonyl)-4-fluoropyrrolidine-2-carboxamide is NC(=O)[C@@H]1C[C@@H](F)CN1C(=O)C1=CCCC1.
What is the InChIKey of (2S,4R)-1-(cyclopentene-1-carbonyl)-4-fluoropyrrolidine-2-carboxamide?
The InChIKey is VWYYSBUMPQAEPD-BDAKNGLRSA-N. The full InChI is InChI=1S/C11H15FN2O2/c12-8-5-9(10(13)15)14(6-8)11(16)7-3-1-2-4-7/h3,8-9H,1-2,4-6H2,(H2,13,15)/t8-,9+/m1/s1.
What are the key properties of (2S,4R)-1-(cyclopentene-1-carbonyl)-4-fluoropyrrolidine-2-carboxamide?
(2S,4R)-1-(cyclopentene-1-carbonyl)-4-fluoropyrrolidine-2-carboxamide has a molecular weight of 226.25 g/mol, XLogP of 0.52, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,4R)-1-(cyclopentene-1-carbonyl)-4-fluoropyrrolidine-2-carboxamide is sourced from PubChem (CID 126783085), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).