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

C14H16FNO2 — CID 82175905

IUPAC1-cyclopropyl-4-[(4-fluorophenyl)-hydroxymethyl]pyrrolidin-2-one
SMILESO=C1CC(C(O)c2ccc(F)cc2)CN1C1CC1
InChIInChI=1S/C14H16FNO2/c15-11-3-1-9(2-4-11)14(18)10-7-13(17)16(8-10)12-5-6-12/h1-4,10,12,14,18H,5-8H2
InChIKeyQWNMZRLLLRDFDS-UHFFFAOYSA-N
MW249.28 g/mol
LogP1.87
Rot. Bonds3

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

1-cyclopropyl-4-[(4-fluorophenyl)-hydroxymethyl]pyrrolidin-2-one (PubChem CID 82175905) has the molecular formula C14H16FNO2 and a molecular weight of 249.28 g/mol. Its IUPAC name is 1-cyclopropyl-4-[(4-fluorophenyl)-hydroxymethyl]pyrrolidin-2-one.

Molecular Properties

Compound Name1-cyclopropyl-4-[(4-fluorophenyl)-hydroxymethyl]pyrrolidin-2-one
PubChem CID82175905
Molecular FormulaC14H16FNO2
Molecular Weight249.28 g/mol
Exact Mass249.12
IUPAC Name1-cyclopropyl-4-[(4-fluorophenyl)-hydroxymethyl]pyrrolidin-2-one
SMILESO=C1CC(C(O)c2ccc(F)cc2)CN1C1CC1
InChIInChI=1S/C14H16FNO2/c15-11-3-1-9(2-4-11)14(18)10-7-13(17)16(8-10)12-5-6-12/h1-4,10,12,14,18H,5-8H2
InChIKeyQWNMZRLLLRDFDS-UHFFFAOYSA-N
XLogP1.87
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.28
LogP ≤ 51.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-cyclopropyl-4-[(4-fluorophenyl)-hydroxymethyl]pyrrolidin-2-one?
The IUPAC name of 1-cyclopropyl-4-[(4-fluorophenyl)-hydroxymethyl]pyrrolidin-2-one (CID 82175905) is 1-cyclopropyl-4-[(4-fluorophenyl)-hydroxymethyl]pyrrolidin-2-one.
What is the SMILES notation for 1-cyclopropyl-4-[(4-fluorophenyl)-hydroxymethyl]pyrrolidin-2-one?
The canonical SMILES for 1-cyclopropyl-4-[(4-fluorophenyl)-hydroxymethyl]pyrrolidin-2-one is O=C1CC(C(O)c2ccc(F)cc2)CN1C1CC1.
What is the InChIKey of 1-cyclopropyl-4-[(4-fluorophenyl)-hydroxymethyl]pyrrolidin-2-one?
The InChIKey is QWNMZRLLLRDFDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16FNO2/c15-11-3-1-9(2-4-11)14(18)10-7-13(17)16(8-10)12-5-6-12/h1-4,10,12,14,18H,5-8H2.
What are the key properties of 1-cyclopropyl-4-[(4-fluorophenyl)-hydroxymethyl]pyrrolidin-2-one?
1-cyclopropyl-4-[(4-fluorophenyl)-hydroxymethyl]pyrrolidin-2-one has a molecular weight of 249.28 g/mol, XLogP of 1.87, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropyl-4-[(4-fluorophenyl)-hydroxymethyl]pyrrolidin-2-one is sourced from PubChem (CID 82175905), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).