5-[(3-fluorocyclobutyl)-methylamino]-1-pyrrolidin-1-ylhexan-1-one

C15H27FN2O — CID 178108392

IUPAC5-[(3-fluorocyclobutyl)-methylamino]-1-pyrrolidin-1-ylhexan-1-one
SMILESCC(CCCC(=O)N1CCCC1)N(C)C1CC(F)C1
InChIInChI=1S/C15H27FN2O/c1-12(17(2)14-10-13(16)11-14)6-5-7-15(19)18-8-3-4-9-18/h12-14H,3-11H2,1-2H3
InChIKeyHCJQITVLNNZGSL-UHFFFAOYSA-N
MW270.39 g/mol
LogP2.60
Rot. Bonds6

About 5-[(3-fluorocyclobutyl)-methylamino]-1-pyrrolidin-1-ylhexan-1-one

5-[(3-fluorocyclobutyl)-methylamino]-1-pyrrolidin-1-ylhexan-1-one (PubChem CID 178108392) has the molecular formula C15H27FN2O and a molecular weight of 270.39 g/mol. Its IUPAC name is 5-[(3-fluorocyclobutyl)-methylamino]-1-pyrrolidin-1-ylhexan-1-one.

Molecular Properties

Compound Name5-[(3-fluorocyclobutyl)-methylamino]-1-pyrrolidin-1-ylhexan-1-one
PubChem CID178108392
Molecular FormulaC15H27FN2O
Molecular Weight270.39 g/mol
Exact Mass270.21
IUPAC Name5-[(3-fluorocyclobutyl)-methylamino]-1-pyrrolidin-1-ylhexan-1-one
SMILESCC(CCCC(=O)N1CCCC1)N(C)C1CC(F)C1
InChIInChI=1S/C15H27FN2O/c1-12(17(2)14-10-13(16)11-14)6-5-7-15(19)18-8-3-4-9-18/h12-14H,3-11H2,1-2H3
InChIKeyHCJQITVLNNZGSL-UHFFFAOYSA-N
XLogP2.60
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.39
LogP ≤ 52.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-[(3-fluorocyclobutyl)-methylamino]-1-pyrrolidin-1-ylhexan-1-one?
The IUPAC name of 5-[(3-fluorocyclobutyl)-methylamino]-1-pyrrolidin-1-ylhexan-1-one (CID 178108392) is 5-[(3-fluorocyclobutyl)-methylamino]-1-pyrrolidin-1-ylhexan-1-one.
What is the SMILES notation for 5-[(3-fluorocyclobutyl)-methylamino]-1-pyrrolidin-1-ylhexan-1-one?
The canonical SMILES for 5-[(3-fluorocyclobutyl)-methylamino]-1-pyrrolidin-1-ylhexan-1-one is CC(CCCC(=O)N1CCCC1)N(C)C1CC(F)C1.
What is the InChIKey of 5-[(3-fluorocyclobutyl)-methylamino]-1-pyrrolidin-1-ylhexan-1-one?
The InChIKey is HCJQITVLNNZGSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27FN2O/c1-12(17(2)14-10-13(16)11-14)6-5-7-15(19)18-8-3-4-9-18/h12-14H,3-11H2,1-2H3.
What are the key properties of 5-[(3-fluorocyclobutyl)-methylamino]-1-pyrrolidin-1-ylhexan-1-one?
5-[(3-fluorocyclobutyl)-methylamino]-1-pyrrolidin-1-ylhexan-1-one has a molecular weight of 270.39 g/mol, XLogP of 2.60, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(3-fluorocyclobutyl)-methylamino]-1-pyrrolidin-1-ylhexan-1-one is sourced from PubChem (CID 178108392), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).