(6E)-6-(fluoromethylidene)-2-azabicyclo[2.2.1]heptan-3-one

C7H8FNO — CID 59730634

IUPAC(6E)-6-(fluoromethylidene)-2-azabicyclo[2.2.1]heptan-3-one
SMILESO=C1NC2CC1C/C2=C\F
InChIInChI=1S/C7H8FNO/c8-3-5-1-4-2-6(5)9-7(4)10/h3-4,6H,1-2H2,(H,9,10)/b5-3+
InChIKeyJKKPGUUMDAUSMB-HWKANZROSA-N
MW141.15 g/mol
LogP0.75
Rot. Bonds

About (6E)-6-(fluoromethylidene)-2-azabicyclo[2.2.1]heptan-3-one

(6E)-6-(fluoromethylidene)-2-azabicyclo[2.2.1]heptan-3-one (PubChem CID 59730634) has the molecular formula C7H8FNO and a molecular weight of 141.15 g/mol. Its IUPAC name is (6E)-6-(fluoromethylidene)-2-azabicyclo[2.2.1]heptan-3-one.

Molecular Properties

Compound Name(6E)-6-(fluoromethylidene)-2-azabicyclo[2.2.1]heptan-3-one
PubChem CID59730634
Molecular FormulaC7H8FNO
Molecular Weight141.15 g/mol
Exact Mass141.06
IUPAC Name(6E)-6-(fluoromethylidene)-2-azabicyclo[2.2.1]heptan-3-one
SMILESO=C1NC2CC1C/C2=C\F
InChIInChI=1S/C7H8FNO/c8-3-5-1-4-2-6(5)9-7(4)10/h3-4,6H,1-2H2,(H,9,10)/b5-3+
InChIKeyJKKPGUUMDAUSMB-HWKANZROSA-N
XLogP0.75
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500141.15
LogP ≤ 50.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of (6E)-6-(fluoromethylidene)-2-azabicyclo[2.2.1]heptan-3-one?
The IUPAC name of (6E)-6-(fluoromethylidene)-2-azabicyclo[2.2.1]heptan-3-one (CID 59730634) is (6E)-6-(fluoromethylidene)-2-azabicyclo[2.2.1]heptan-3-one.
What is the SMILES notation for (6E)-6-(fluoromethylidene)-2-azabicyclo[2.2.1]heptan-3-one?
The canonical SMILES for (6E)-6-(fluoromethylidene)-2-azabicyclo[2.2.1]heptan-3-one is O=C1NC2CC1C/C2=C\F.
What is the InChIKey of (6E)-6-(fluoromethylidene)-2-azabicyclo[2.2.1]heptan-3-one?
The InChIKey is JKKPGUUMDAUSMB-HWKANZROSA-N. The full InChI is InChI=1S/C7H8FNO/c8-3-5-1-4-2-6(5)9-7(4)10/h3-4,6H,1-2H2,(H,9,10)/b5-3+.
What are the key properties of (6E)-6-(fluoromethylidene)-2-azabicyclo[2.2.1]heptan-3-one?
(6E)-6-(fluoromethylidene)-2-azabicyclo[2.2.1]heptan-3-one has a molecular weight of 141.15 g/mol, XLogP of 0.75, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (6E)-6-(fluoromethylidene)-2-azabicyclo[2.2.1]heptan-3-one is sourced from PubChem (CID 59730634), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).