5-(2-fluorophenyl)-6-propyl-4,6-diazaspiro[2.4]heptan-7-one

C14H17FN2O — CID 83242531

IUPAC5-(2-fluorophenyl)-6-propyl-4,6-diazaspiro[2.4]heptan-7-one
SMILESCCCN1C(=O)C2(CC2)NC1c1ccccc1F
InChIInChI=1S/C14H17FN2O/c1-2-9-17-12(10-5-3-4-6-11(10)15)16-14(7-8-14)13(17)18/h3-6,12,16H,2,7-9H2,1H3
InChIKeyFISUCVBBSOLINE-UHFFFAOYSA-N
MW248.30 g/mol
LogP2.20
Rot. Bonds3

About 5-(2-fluorophenyl)-6-propyl-4,6-diazaspiro[2.4]heptan-7-one

5-(2-fluorophenyl)-6-propyl-4,6-diazaspiro[2.4]heptan-7-one (PubChem CID 83242531) has the molecular formula C14H17FN2O and a molecular weight of 248.30 g/mol. Its IUPAC name is 5-(2-fluorophenyl)-6-propyl-4,6-diazaspiro[2.4]heptan-7-one.

Molecular Properties

Compound Name5-(2-fluorophenyl)-6-propyl-4,6-diazaspiro[2.4]heptan-7-one
PubChem CID83242531
Molecular FormulaC14H17FN2O
Molecular Weight248.30 g/mol
Exact Mass248.13
IUPAC Name5-(2-fluorophenyl)-6-propyl-4,6-diazaspiro[2.4]heptan-7-one
SMILESCCCN1C(=O)C2(CC2)NC1c1ccccc1F
InChIInChI=1S/C14H17FN2O/c1-2-9-17-12(10-5-3-4-6-11(10)15)16-14(7-8-14)13(17)18/h3-6,12,16H,2,7-9H2,1H3
InChIKeyFISUCVBBSOLINE-UHFFFAOYSA-N
XLogP2.20
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.30
LogP ≤ 52.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-(2-fluorophenyl)-6-propyl-4,6-diazaspiro[2.4]heptan-7-one?
The IUPAC name of 5-(2-fluorophenyl)-6-propyl-4,6-diazaspiro[2.4]heptan-7-one (CID 83242531) is 5-(2-fluorophenyl)-6-propyl-4,6-diazaspiro[2.4]heptan-7-one.
What is the SMILES notation for 5-(2-fluorophenyl)-6-propyl-4,6-diazaspiro[2.4]heptan-7-one?
The canonical SMILES for 5-(2-fluorophenyl)-6-propyl-4,6-diazaspiro[2.4]heptan-7-one is CCCN1C(=O)C2(CC2)NC1c1ccccc1F.
What is the InChIKey of 5-(2-fluorophenyl)-6-propyl-4,6-diazaspiro[2.4]heptan-7-one?
The InChIKey is FISUCVBBSOLINE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17FN2O/c1-2-9-17-12(10-5-3-4-6-11(10)15)16-14(7-8-14)13(17)18/h3-6,12,16H,2,7-9H2,1H3.
What are the key properties of 5-(2-fluorophenyl)-6-propyl-4,6-diazaspiro[2.4]heptan-7-one?
5-(2-fluorophenyl)-6-propyl-4,6-diazaspiro[2.4]heptan-7-one has a molecular weight of 248.30 g/mol, XLogP of 2.20, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-fluorophenyl)-6-propyl-4,6-diazaspiro[2.4]heptan-7-one is sourced from PubChem (CID 83242531), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).