5-(4-fluoro-3-hydroxy-4-methylhex-1-enyl)-1-propylpyrrolidin-2-one

C14H24FNO2 — CID 123958313

IUPAC5-(4-fluoro-3-hydroxy-4-methylhex-1-enyl)-1-propylpyrrolidin-2-one
SMILESCCCN1C(=O)CCC1C=CC(O)C(C)(F)CC
InChIInChI=1S/C14H24FNO2/c1-4-10-16-11(7-9-13(16)18)6-8-12(17)14(3,15)5-2/h6,8,11-12,17H,4-5,7,9-10H2,1-3H3
InChIKeyJIVLYJDICMTJHS-UHFFFAOYSA-N
MW257.35 g/mol
LogP2.44
Rot. Bonds6

About 5-(4-fluoro-3-hydroxy-4-methylhex-1-enyl)-1-propylpyrrolidin-2-one

5-(4-fluoro-3-hydroxy-4-methylhex-1-enyl)-1-propylpyrrolidin-2-one (PubChem CID 123958313) has the molecular formula C14H24FNO2 and a molecular weight of 257.35 g/mol. Its IUPAC name is 5-(4-fluoro-3-hydroxy-4-methylhex-1-enyl)-1-propylpyrrolidin-2-one.

Molecular Properties

Compound Name5-(4-fluoro-3-hydroxy-4-methylhex-1-enyl)-1-propylpyrrolidin-2-one
PubChem CID123958313
Molecular FormulaC14H24FNO2
Molecular Weight257.35 g/mol
Exact Mass257.18
IUPAC Name5-(4-fluoro-3-hydroxy-4-methylhex-1-enyl)-1-propylpyrrolidin-2-one
SMILESCCCN1C(=O)CCC1C=CC(O)C(C)(F)CC
InChIInChI=1S/C14H24FNO2/c1-4-10-16-11(7-9-13(16)18)6-8-12(17)14(3,15)5-2/h6,8,11-12,17H,4-5,7,9-10H2,1-3H3
InChIKeyJIVLYJDICMTJHS-UHFFFAOYSA-N
XLogP2.44
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.35
LogP ≤ 52.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 5-(4-fluoro-3-hydroxy-4-methylhex-1-enyl)-1-propylpyrrolidin-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 5-(4-fluoro-3-hydroxy-4-methylhex-1-enyl)-1-propylpyrrolidin-2-one?
The IUPAC name of 5-(4-fluoro-3-hydroxy-4-methylhex-1-enyl)-1-propylpyrrolidin-2-one (CID 123958313) is 5-(4-fluoro-3-hydroxy-4-methylhex-1-enyl)-1-propylpyrrolidin-2-one.
What is the SMILES notation for 5-(4-fluoro-3-hydroxy-4-methylhex-1-enyl)-1-propylpyrrolidin-2-one?
The canonical SMILES for 5-(4-fluoro-3-hydroxy-4-methylhex-1-enyl)-1-propylpyrrolidin-2-one is CCCN1C(=O)CCC1C=CC(O)C(C)(F)CC.
What is the InChIKey of 5-(4-fluoro-3-hydroxy-4-methylhex-1-enyl)-1-propylpyrrolidin-2-one?
The InChIKey is JIVLYJDICMTJHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24FNO2/c1-4-10-16-11(7-9-13(16)18)6-8-12(17)14(3,15)5-2/h6,8,11-12,17H,4-5,7,9-10H2,1-3H3.
What are the key properties of 5-(4-fluoro-3-hydroxy-4-methylhex-1-enyl)-1-propylpyrrolidin-2-one?
5-(4-fluoro-3-hydroxy-4-methylhex-1-enyl)-1-propylpyrrolidin-2-one has a molecular weight of 257.35 g/mol, XLogP of 2.44, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-fluoro-3-hydroxy-4-methylhex-1-enyl)-1-propylpyrrolidin-2-one is sourced from PubChem (CID 123958313), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).