5-[2-[2-fluoroethyl(propan-2-yl)amino]ethyl]pyrrolidin-3-one

C11H21FN2O — CID 176601132

IUPAC5-[2-[2-fluoroethyl(propan-2-yl)amino]ethyl]pyrrolidin-3-one
SMILESCC(C)N(CCF)CCC1CC(=O)CN1
InChIInChI=1S/C11H21FN2O/c1-9(2)14(6-4-12)5-3-10-7-11(15)8-13-10/h9-10,13H,3-8H2,1-2H3
InChIKeyCSIOSWVALVRFSZ-UHFFFAOYSA-N
MW216.30 g/mol
LogP0.99
Rot. Bonds6

About 5-[2-[2-fluoroethyl(propan-2-yl)amino]ethyl]pyrrolidin-3-one

5-[2-[2-fluoroethyl(propan-2-yl)amino]ethyl]pyrrolidin-3-one (PubChem CID 176601132) has the molecular formula C11H21FN2O and a molecular weight of 216.30 g/mol. Its IUPAC name is 5-[2-[2-fluoroethyl(propan-2-yl)amino]ethyl]pyrrolidin-3-one.

Molecular Properties

Compound Name5-[2-[2-fluoroethyl(propan-2-yl)amino]ethyl]pyrrolidin-3-one
PubChem CID176601132
Molecular FormulaC11H21FN2O
Molecular Weight216.30 g/mol
Exact Mass216.16
IUPAC Name5-[2-[2-fluoroethyl(propan-2-yl)amino]ethyl]pyrrolidin-3-one
SMILESCC(C)N(CCF)CCC1CC(=O)CN1
InChIInChI=1S/C11H21FN2O/c1-9(2)14(6-4-12)5-3-10-7-11(15)8-13-10/h9-10,13H,3-8H2,1-2H3
InChIKeyCSIOSWVALVRFSZ-UHFFFAOYSA-N
XLogP0.99
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.30
LogP ≤ 50.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-[2-[2-fluoroethyl(propan-2-yl)amino]ethyl]pyrrolidin-3-one?
The IUPAC name of 5-[2-[2-fluoroethyl(propan-2-yl)amino]ethyl]pyrrolidin-3-one (CID 176601132) is 5-[2-[2-fluoroethyl(propan-2-yl)amino]ethyl]pyrrolidin-3-one.
What is the SMILES notation for 5-[2-[2-fluoroethyl(propan-2-yl)amino]ethyl]pyrrolidin-3-one?
The canonical SMILES for 5-[2-[2-fluoroethyl(propan-2-yl)amino]ethyl]pyrrolidin-3-one is CC(C)N(CCF)CCC1CC(=O)CN1.
What is the InChIKey of 5-[2-[2-fluoroethyl(propan-2-yl)amino]ethyl]pyrrolidin-3-one?
The InChIKey is CSIOSWVALVRFSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21FN2O/c1-9(2)14(6-4-12)5-3-10-7-11(15)8-13-10/h9-10,13H,3-8H2,1-2H3.
What are the key properties of 5-[2-[2-fluoroethyl(propan-2-yl)amino]ethyl]pyrrolidin-3-one?
5-[2-[2-fluoroethyl(propan-2-yl)amino]ethyl]pyrrolidin-3-one has a molecular weight of 216.30 g/mol, XLogP of 0.99, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-[2-fluoroethyl(propan-2-yl)amino]ethyl]pyrrolidin-3-one is sourced from PubChem (CID 176601132), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).