1-cyclopentyl-4-[(4-fluorophenyl)-hydroxymethyl]pyrrolidin-2-one

C16H20FNO2 — CID 82175959

IUPAC1-cyclopentyl-4-[(4-fluorophenyl)-hydroxymethyl]pyrrolidin-2-one
SMILESO=C1CC(C(O)c2ccc(F)cc2)CN1C1CCCC1
InChIInChI=1S/C16H20FNO2/c17-13-7-5-11(6-8-13)16(20)12-9-15(19)18(10-12)14-3-1-2-4-14/h5-8,12,14,16,20H,1-4,9-10H2
InChIKeyRTTCGEDGKKQASV-UHFFFAOYSA-N
MW277.34 g/mol
LogP2.65
Rot. Bonds3

About 1-cyclopentyl-4-[(4-fluorophenyl)-hydroxymethyl]pyrrolidin-2-one

1-cyclopentyl-4-[(4-fluorophenyl)-hydroxymethyl]pyrrolidin-2-one (PubChem CID 82175959) has the molecular formula C16H20FNO2 and a molecular weight of 277.34 g/mol. Its IUPAC name is 1-cyclopentyl-4-[(4-fluorophenyl)-hydroxymethyl]pyrrolidin-2-one.

Molecular Properties

Compound Name1-cyclopentyl-4-[(4-fluorophenyl)-hydroxymethyl]pyrrolidin-2-one
PubChem CID82175959
Molecular FormulaC16H20FNO2
Molecular Weight277.34 g/mol
Exact Mass277.15
IUPAC Name1-cyclopentyl-4-[(4-fluorophenyl)-hydroxymethyl]pyrrolidin-2-one
SMILESO=C1CC(C(O)c2ccc(F)cc2)CN1C1CCCC1
InChIInChI=1S/C16H20FNO2/c17-13-7-5-11(6-8-13)16(20)12-9-15(19)18(10-12)14-3-1-2-4-14/h5-8,12,14,16,20H,1-4,9-10H2
InChIKeyRTTCGEDGKKQASV-UHFFFAOYSA-N
XLogP2.65
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.34
LogP ≤ 52.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-cyclopentyl-4-[(4-fluorophenyl)-hydroxymethyl]pyrrolidin-2-one?
The IUPAC name of 1-cyclopentyl-4-[(4-fluorophenyl)-hydroxymethyl]pyrrolidin-2-one (CID 82175959) is 1-cyclopentyl-4-[(4-fluorophenyl)-hydroxymethyl]pyrrolidin-2-one.
What is the SMILES notation for 1-cyclopentyl-4-[(4-fluorophenyl)-hydroxymethyl]pyrrolidin-2-one?
The canonical SMILES for 1-cyclopentyl-4-[(4-fluorophenyl)-hydroxymethyl]pyrrolidin-2-one is O=C1CC(C(O)c2ccc(F)cc2)CN1C1CCCC1.
What is the InChIKey of 1-cyclopentyl-4-[(4-fluorophenyl)-hydroxymethyl]pyrrolidin-2-one?
The InChIKey is RTTCGEDGKKQASV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20FNO2/c17-13-7-5-11(6-8-13)16(20)12-9-15(19)18(10-12)14-3-1-2-4-14/h5-8,12,14,16,20H,1-4,9-10H2.
What are the key properties of 1-cyclopentyl-4-[(4-fluorophenyl)-hydroxymethyl]pyrrolidin-2-one?
1-cyclopentyl-4-[(4-fluorophenyl)-hydroxymethyl]pyrrolidin-2-one has a molecular weight of 277.34 g/mol, XLogP of 2.65, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopentyl-4-[(4-fluorophenyl)-hydroxymethyl]pyrrolidin-2-one is sourced from PubChem (CID 82175959), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).