(5R)-5-(fluoromethyl)-4-[(E)-pentadec-1-enyl]pyrrolidin-2-one

C20H36FNO — CID 71161033

IUPAC(5R)-5-(fluoromethyl)-4-[(E)-pentadec-1-enyl]pyrrolidin-2-one
SMILESCCCCCCCCCCCCC/C=C/C1CC(=O)N[C@H]1CF
InChIInChI=1S/C20H36FNO/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-18-16-20(23)22-19(18)17-21/h14-15,18-19H,2-13,16-17H2,1H3,(H,22,23)/b15-14+/t18?,19-/m0/s1
InChIKeyJNGFFAIPVOXHIZ-UIJVYQFXSA-N
MW325.51 g/mol
LogP5.72
Rot. Bonds14

About (5R)-5-(fluoromethyl)-4-[(E)-pentadec-1-enyl]pyrrolidin-2-one

(5R)-5-(fluoromethyl)-4-[(E)-pentadec-1-enyl]pyrrolidin-2-one (PubChem CID 71161033) has the molecular formula C20H36FNO and a molecular weight of 325.51 g/mol. Its IUPAC name is (5R)-5-(fluoromethyl)-4-[(E)-pentadec-1-enyl]pyrrolidin-2-one.

Molecular Properties

Compound Name(5R)-5-(fluoromethyl)-4-[(E)-pentadec-1-enyl]pyrrolidin-2-one
PubChem CID71161033
Molecular FormulaC20H36FNO
Molecular Weight325.51 g/mol
Exact Mass325.28
IUPAC Name(5R)-5-(fluoromethyl)-4-[(E)-pentadec-1-enyl]pyrrolidin-2-one
SMILESCCCCCCCCCCCCC/C=C/C1CC(=O)N[C@H]1CF
InChIInChI=1S/C20H36FNO/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-18-16-20(23)22-19(18)17-21/h14-15,18-19H,2-13,16-17H2,1H3,(H,22,23)/b15-14+/t18?,19-/m0/s1
InChIKeyJNGFFAIPVOXHIZ-UIJVYQFXSA-N
XLogP5.72
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds14
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500325.51
LogP ≤ 55.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

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(+/-)-2,17,17,-Trimethyl-5,8,11,14-all-cis-docosatetraenoyl-2'-fluoroethylamine
CID 5283441
(+/-)-2,17,-Dimethyl-5,8,11,14-all-cis-docosatetraenoyl-2'-fluoroethylamine
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CID 3318
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Frequently Asked Questions

What is the IUPAC name of (5R)-5-(fluoromethyl)-4-[(E)-pentadec-1-enyl]pyrrolidin-2-one?
The IUPAC name of (5R)-5-(fluoromethyl)-4-[(E)-pentadec-1-enyl]pyrrolidin-2-one (CID 71161033) is (5R)-5-(fluoromethyl)-4-[(E)-pentadec-1-enyl]pyrrolidin-2-one.
What is the SMILES notation for (5R)-5-(fluoromethyl)-4-[(E)-pentadec-1-enyl]pyrrolidin-2-one?
The canonical SMILES for (5R)-5-(fluoromethyl)-4-[(E)-pentadec-1-enyl]pyrrolidin-2-one is CCCCCCCCCCCCC/C=C/C1CC(=O)N[C@H]1CF.
What is the InChIKey of (5R)-5-(fluoromethyl)-4-[(E)-pentadec-1-enyl]pyrrolidin-2-one?
The InChIKey is JNGFFAIPVOXHIZ-UIJVYQFXSA-N. The full InChI is InChI=1S/C20H36FNO/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-18-16-20(23)22-19(18)17-21/h14-15,18-19H,2-13,16-17H2,1H3,(H,22,23)/b15-14+/t18?,19-/m0/s1.
What are the key properties of (5R)-5-(fluoromethyl)-4-[(E)-pentadec-1-enyl]pyrrolidin-2-one?
(5R)-5-(fluoromethyl)-4-[(E)-pentadec-1-enyl]pyrrolidin-2-one has a molecular weight of 325.51 g/mol, XLogP of 5.72, 14 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (5R)-5-(fluoromethyl)-4-[(E)-pentadec-1-enyl]pyrrolidin-2-one is sourced from PubChem (CID 71161033), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).