cyclopent-3-en-1-yl-[(2S,4S)-4-fluoro-2-(hydroxymethyl)pyrrolidin-1-yl]methanone

C11H16FNO2 — CID 126768201

IUPACcyclopent-3-en-1-yl-[(2S,4S)-4-fluoro-2-(hydroxymethyl)pyrrolidin-1-yl]methanone
SMILESO=C(C1CC=CC1)N1C[C@@H](F)C[C@H]1CO
InChIInChI=1S/C11H16FNO2/c12-9-5-10(7-14)13(6-9)11(15)8-3-1-2-4-8/h1-2,8-10,14H,3-7H2/t9-,10-/m0/s1
InChIKeyJWUSUNWJGCVRFE-UWVGGRQHSA-N
MW213.25 g/mol
LogP0.88
Rot. Bonds2

About cyclopent-3-en-1-yl-[(2S,4S)-4-fluoro-2-(hydroxymethyl)pyrrolidin-1-yl]methanone

cyclopent-3-en-1-yl-[(2S,4S)-4-fluoro-2-(hydroxymethyl)pyrrolidin-1-yl]methanone (PubChem CID 126768201) has the molecular formula C11H16FNO2 and a molecular weight of 213.25 g/mol. Its IUPAC name is cyclopent-3-en-1-yl-[(2S,4S)-4-fluoro-2-(hydroxymethyl)pyrrolidin-1-yl]methanone.

Molecular Properties

Compound Namecyclopent-3-en-1-yl-[(2S,4S)-4-fluoro-2-(hydroxymethyl)pyrrolidin-1-yl]methanone
PubChem CID126768201
Molecular FormulaC11H16FNO2
Molecular Weight213.25 g/mol
Exact Mass213.12
IUPAC Namecyclopent-3-en-1-yl-[(2S,4S)-4-fluoro-2-(hydroxymethyl)pyrrolidin-1-yl]methanone
SMILESO=C(C1CC=CC1)N1C[C@@H](F)C[C@H]1CO
InChIInChI=1S/C11H16FNO2/c12-9-5-10(7-14)13(6-9)11(15)8-3-1-2-4-8/h1-2,8-10,14H,3-7H2/t9-,10-/m0/s1
InChIKeyJWUSUNWJGCVRFE-UWVGGRQHSA-N
XLogP0.88
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.25
LogP ≤ 50.88
H-Bond Donors ≤ 51
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 cyclopent-3-en-1-yl-[(2S,4S)-4-fluoro-2-(hydroxymethyl)pyrrolidin-1-yl]methanone?
The IUPAC name of cyclopent-3-en-1-yl-[(2S,4S)-4-fluoro-2-(hydroxymethyl)pyrrolidin-1-yl]methanone (CID 126768201) is cyclopent-3-en-1-yl-[(2S,4S)-4-fluoro-2-(hydroxymethyl)pyrrolidin-1-yl]methanone.
What is the SMILES notation for cyclopent-3-en-1-yl-[(2S,4S)-4-fluoro-2-(hydroxymethyl)pyrrolidin-1-yl]methanone?
The canonical SMILES for cyclopent-3-en-1-yl-[(2S,4S)-4-fluoro-2-(hydroxymethyl)pyrrolidin-1-yl]methanone is O=C(C1CC=CC1)N1C[C@@H](F)C[C@H]1CO.
What is the InChIKey of cyclopent-3-en-1-yl-[(2S,4S)-4-fluoro-2-(hydroxymethyl)pyrrolidin-1-yl]methanone?
The InChIKey is JWUSUNWJGCVRFE-UWVGGRQHSA-N. The full InChI is InChI=1S/C11H16FNO2/c12-9-5-10(7-14)13(6-9)11(15)8-3-1-2-4-8/h1-2,8-10,14H,3-7H2/t9-,10-/m0/s1.
What are the key properties of cyclopent-3-en-1-yl-[(2S,4S)-4-fluoro-2-(hydroxymethyl)pyrrolidin-1-yl]methanone?
cyclopent-3-en-1-yl-[(2S,4S)-4-fluoro-2-(hydroxymethyl)pyrrolidin-1-yl]methanone has a molecular weight of 213.25 g/mol, XLogP of 0.88, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for cyclopent-3-en-1-yl-[(2S,4S)-4-fluoro-2-(hydroxymethyl)pyrrolidin-1-yl]methanone is sourced from PubChem (CID 126768201), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).