(2R,4S)-N-cyclopent-3-en-1-yl-4-fluoropyrrolidine-2-carboxamide

C10H15FN2O — CID 130685196

IUPAC(2R,4S)-N-cyclopent-3-en-1-yl-4-fluoropyrrolidine-2-carboxamide
SMILESO=C(NC1CC=CC1)[C@H]1C[C@H](F)CN1
InChIInChI=1S/C10H15FN2O/c11-7-5-9(12-6-7)10(14)13-8-3-1-2-4-8/h1-2,7-9,12H,3-6H2,(H,13,14)/t7-,9+/m0/s1
InChIKeyLMLHILBFEFCBJF-IONNQARKSA-N
MW198.24 g/mol
LogP0.52
Rot. Bonds2

About (2R,4S)-N-cyclopent-3-en-1-yl-4-fluoropyrrolidine-2-carboxamide

(2R,4S)-N-cyclopent-3-en-1-yl-4-fluoropyrrolidine-2-carboxamide (PubChem CID 130685196) has the molecular formula C10H15FN2O and a molecular weight of 198.24 g/mol. Its IUPAC name is (2R,4S)-N-cyclopent-3-en-1-yl-4-fluoropyrrolidine-2-carboxamide.

Molecular Properties

Compound Name(2R,4S)-N-cyclopent-3-en-1-yl-4-fluoropyrrolidine-2-carboxamide
PubChem CID130685196
Molecular FormulaC10H15FN2O
Molecular Weight198.24 g/mol
Exact Mass198.12
IUPAC Name(2R,4S)-N-cyclopent-3-en-1-yl-4-fluoropyrrolidine-2-carboxamide
SMILESO=C(NC1CC=CC1)[C@H]1C[C@H](F)CN1
InChIInChI=1S/C10H15FN2O/c11-7-5-9(12-6-7)10(14)13-8-3-1-2-4-8/h1-2,7-9,12H,3-6H2,(H,13,14)/t7-,9+/m0/s1
InChIKeyLMLHILBFEFCBJF-IONNQARKSA-N
XLogP0.52
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.24
LogP ≤ 50.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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 (2R,4S)-N-cyclopent-3-en-1-yl-4-fluoropyrrolidine-2-carboxamide?
The IUPAC name of (2R,4S)-N-cyclopent-3-en-1-yl-4-fluoropyrrolidine-2-carboxamide (CID 130685196) is (2R,4S)-N-cyclopent-3-en-1-yl-4-fluoropyrrolidine-2-carboxamide.
What is the SMILES notation for (2R,4S)-N-cyclopent-3-en-1-yl-4-fluoropyrrolidine-2-carboxamide?
The canonical SMILES for (2R,4S)-N-cyclopent-3-en-1-yl-4-fluoropyrrolidine-2-carboxamide is O=C(NC1CC=CC1)[C@H]1C[C@H](F)CN1.
What is the InChIKey of (2R,4S)-N-cyclopent-3-en-1-yl-4-fluoropyrrolidine-2-carboxamide?
The InChIKey is LMLHILBFEFCBJF-IONNQARKSA-N. The full InChI is InChI=1S/C10H15FN2O/c11-7-5-9(12-6-7)10(14)13-8-3-1-2-4-8/h1-2,7-9,12H,3-6H2,(H,13,14)/t7-,9+/m0/s1.
What are the key properties of (2R,4S)-N-cyclopent-3-en-1-yl-4-fluoropyrrolidine-2-carboxamide?
(2R,4S)-N-cyclopent-3-en-1-yl-4-fluoropyrrolidine-2-carboxamide has a molecular weight of 198.24 g/mol, XLogP of 0.52, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,4S)-N-cyclopent-3-en-1-yl-4-fluoropyrrolidine-2-carboxamide is sourced from PubChem (CID 130685196), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).