2-cyclopentyl-N-[[(2S,4S)-4-fluoro-1-pent-3-enoylpyrrolidin-2-yl]methyl]acetamide

C17H27FN2O2 — CID 91940174

IUPAC2-cyclopentyl-N-[[(2S,4S)-4-fluoro-1-pent-3-enoylpyrrolidin-2-yl]methyl]acetamide
SMILESCC=CCC(=O)N1C[C@@H](F)C[C@H]1CNC(=O)CC1CCCC1
InChIInChI=1S/C17H27FN2O2/c1-2-3-8-17(22)20-12-14(18)10-15(20)11-19-16(21)9-13-6-4-5-7-13/h2-3,13-15H,4-12H2,1H3,(H,19,21)/t14-,15-/m0/s1
InChIKeyPRALXKWCMSQPHE-GJZGRUSLSA-N
MW310.41 g/mol
LogP2.59
Rot. Bonds6

About 2-cyclopentyl-N-[[(2S,4S)-4-fluoro-1-pent-3-enoylpyrrolidin-2-yl]methyl]acetamide

2-cyclopentyl-N-[[(2S,4S)-4-fluoro-1-pent-3-enoylpyrrolidin-2-yl]methyl]acetamide (PubChem CID 91940174) has the molecular formula C17H27FN2O2 and a molecular weight of 310.41 g/mol. Its IUPAC name is 2-cyclopentyl-N-[[(2S,4S)-4-fluoro-1-pent-3-enoylpyrrolidin-2-yl]methyl]acetamide.

Molecular Properties

Compound Name2-cyclopentyl-N-[[(2S,4S)-4-fluoro-1-pent-3-enoylpyrrolidin-2-yl]methyl]acetamide
PubChem CID91940174
Molecular FormulaC17H27FN2O2
Molecular Weight310.41 g/mol
Exact Mass310.21
IUPAC Name2-cyclopentyl-N-[[(2S,4S)-4-fluoro-1-pent-3-enoylpyrrolidin-2-yl]methyl]acetamide
SMILESCC=CCC(=O)N1C[C@@H](F)C[C@H]1CNC(=O)CC1CCCC1
InChIInChI=1S/C17H27FN2O2/c1-2-3-8-17(22)20-12-14(18)10-15(20)11-19-16(21)9-13-6-4-5-7-13/h2-3,13-15H,4-12H2,1H3,(H,19,21)/t14-,15-/m0/s1
InChIKeyPRALXKWCMSQPHE-GJZGRUSLSA-N
XLogP2.59
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.41
LogP ≤ 52.59
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 2-cyclopentyl-N-[[(2S,4S)-4-fluoro-1-pent-3-enoylpyrrolidin-2-yl]methyl]acetamide?
The IUPAC name of 2-cyclopentyl-N-[[(2S,4S)-4-fluoro-1-pent-3-enoylpyrrolidin-2-yl]methyl]acetamide (CID 91940174) is 2-cyclopentyl-N-[[(2S,4S)-4-fluoro-1-pent-3-enoylpyrrolidin-2-yl]methyl]acetamide.
What is the SMILES notation for 2-cyclopentyl-N-[[(2S,4S)-4-fluoro-1-pent-3-enoylpyrrolidin-2-yl]methyl]acetamide?
The canonical SMILES for 2-cyclopentyl-N-[[(2S,4S)-4-fluoro-1-pent-3-enoylpyrrolidin-2-yl]methyl]acetamide is CC=CCC(=O)N1C[C@@H](F)C[C@H]1CNC(=O)CC1CCCC1.
What is the InChIKey of 2-cyclopentyl-N-[[(2S,4S)-4-fluoro-1-pent-3-enoylpyrrolidin-2-yl]methyl]acetamide?
The InChIKey is PRALXKWCMSQPHE-GJZGRUSLSA-N. The full InChI is InChI=1S/C17H27FN2O2/c1-2-3-8-17(22)20-12-14(18)10-15(20)11-19-16(21)9-13-6-4-5-7-13/h2-3,13-15H,4-12H2,1H3,(H,19,21)/t14-,15-/m0/s1.
What are the key properties of 2-cyclopentyl-N-[[(2S,4S)-4-fluoro-1-pent-3-enoylpyrrolidin-2-yl]methyl]acetamide?
2-cyclopentyl-N-[[(2S,4S)-4-fluoro-1-pent-3-enoylpyrrolidin-2-yl]methyl]acetamide has a molecular weight of 310.41 g/mol, XLogP of 2.59, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopentyl-N-[[(2S,4S)-4-fluoro-1-pent-3-enoylpyrrolidin-2-yl]methyl]acetamide is sourced from PubChem (CID 91940174), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).